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Home> Hot Product Listed T   > T6652456
1156170-01-2 structure

T6652456

Iupac Name:2-bromo-1-(cyclopropylmethoxy)-4-fluorobenzene
CAS No.:1156170-01-2
Molecular Weight:245.091
Molecular Formula:C19H18N4O3 (isomer)
Names and Identifiers
Synonyms

MCULE-3032622507 MOLPORT-009-082-430 n-{[6-(azepan-1-yl)pyridin-3-yl]methyl}-7-fluoro-2-methylquinoline-3-carboxamide Z654242822 ZINC48325160

Inchi
InChI=1S/C10H10BrFO/c11-9-5-8(12)3-4-10(9)13-6-7-1-2-7/h3-5,7H,1-2,6H2
InChkey
DMBRHDBGDYLULL-UHFFFAOYSA-N
Canonical Smiles
C1CC1COC2=C(C=C(C=C2)F)Br
Safety and Handling
Risk Statements
22
Computational chemical data
  • Molecular Weight:245.091g/mol
  • Molecular Formula:C19H18N4O3
  • Compound Is Canonicalized:True
  • Exact Mass:243.99
  • Monoisotopic Mass:243.99
  • Complexity:172
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:9.2A^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:1
  • CACTVS Substructure Key Fingerprint: AAADccBwIQAAEAAAAAAAAAAAGAAAAAAAAAAwAAAAAAAAAAABAAAAGwBAAAABrQSgkAowBoAABACA ACBCAAACCAAgIAQIiAAGCKgMJiKEMRqCOCCkwBEIqheAQAAAAAAAAAAABAAAAAAAAAAIAAAAAAAA AA==
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