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Home> Hot Product Listed Α   > (αR)-α-[[(4-Bromophenyl)sulfonyl]amino]benzenepropanoic acid
1332-58-7 structure

(αR)-α-[[(4-Bromophenyl)sulfonyl]amino]benzenepropanoic acid

Iupac Name:oxo-oxoalumanyloxy-[oxo(oxoalumanyloxy)silyl]oxysilane;dihydrate
CAS No.:1332-58-7
Molecular Weight:260.17600
Molecular Formula:C19H20N2O (isomer)
Names and Identifiers
Synonyms

(2r)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanoic acid (r)-2-(4-bromobenzenesulfonylamino)-3-phenylpropanoic acid (r)-2-(4-bromo-benzenesulfonylamino)-3-phenyl-propionic acid AC1L1ZQN alanine, n-(p-bromobenzenesulfonyl)-3-phenyl-, d- bdbm50077156 CHEMBL49185 d-n-(p-bromobenzenesulfonyl)-3-phenylalanine LS-15910 n-[(4-bromophenyl)sulfonyl]-d-phenylalanine propionic acid, 2-(p-bromobenzenesulfonamido)-3-phenyl-, d- SCHEMBL8839382 YYNNRJWNBXEQTP-CQSZACIVSA-N ZINC3883170

Inchi
InChI=1S/2Al.O5Si2.2H2O.2O/c;;1-6(2)5-7(3)4;;;;/h;;;2*1H2;;/q2*+1;-2;;;;
InChkey
NLYAJNPCOHFWQQ-UHFFFAOYSA-N
Canonical Smiles
O.O.O=[Al]O[Si](=O)O[Si](=O)O[Al]=O
Properties
Melting Point
1750ºC
Refractive Index
1.62
HS Code
25070090
Safety and Handling
Safety Statements
S22; S24/25
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:260.17600g/mol
  • Molecular Formula:C19H20N2O
  • Compound Is Canonicalized:True
  • Exact Mass:257.902
  • Monoisotopic Mass:257.902
  • Complexity:167
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:9
  • Topological Polar Surface Area:98A^2
  • Heavy Atom Count:13
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:3
  • CACTVS Substructure Key Fingerprint: AAADcYAAPAwAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACMAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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