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Benzamide,2-[(4-bromo-2-methylphenyl)amino]-N-[(4,4-dimethyl-2-pentynyl)oxy]-3,4-difluoro- structure
Benzamide,2-[(4-bromo-2-methylphenyl)amino]-N-[(4,4-dimethyl-2-pentynyl)oxy]-3,4-difluoro- structure

Benzamide,2-[(4-bromo-2-methylphenyl)amino]-N-[(4,4-dimethyl-2-pentynyl)oxy]-3,4-difluoro-

Iupac Name:2,4-dimethylpentanoic acid
CAS No.:5868-33-7
Molecular Weight:130.18
1. Names and Identifiers
1.1 Name
Benzamide,2-[(4-bromo-2-methylphenyl)amino]-N-[(4,4-dimethyl-2-pentynyl)oxy]-3,4-difluoro-
1.2 CAS No.
5868-33-7
1.3 CID
15564205
1.4 Molecular Formula
C14H12ClIN2O2 (isomer)
1.5 Inchi
InChI=1S/C7H14O2/c1-5(2)4-6(3)7(8)9/h5-6H,4H2,1-3H3,(H,8,9)
1.6 InChkey
XMKDPSQQDXTCCK-UHFFFAOYSA-N
1.7 Canonical Smiles
CC(C)CC(C)C(=O)O
1.8 Isomers Smiles
CC(C)CC(C)C(=O)O
2. Properties
3.1 Refractive Index
1.4078 (estimate)
3. Computational chemical data
  • Molecular Weight:130.18g/mol
  • Molecular Formula:C14H12ClIN2O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:2
  • Exact Mass:130.099379685
  • Monoisotopic Mass:130.099379685
  • Complexity:97.1
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:37.3
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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2,4-DIMETHYLPENTANOIC ACID
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2,4-dimethylpentanoic acid
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2,4-dimethylpentanoic acid
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2,4-DIMETHYLPENTANOIC ACID
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