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835912-66-8 | Benzeneacetic acid,4-amino-2,3-difluoro-
CAS No: 835912-66-8 Catalog No: AG004TTG MDL No:MFCD06201874
Product Description
Catalog Number:
AG004TTG
Chemical Name:
Benzeneacetic acid,4-amino-2,3-difluoro-
CAS Number:
835912-66-8
Molecular Formula:
C8H7F2NO2
Molecular Weight:
187.1435
MDL Number:
MFCD06201874
IUPAC Name:
2-(4-amino-2,3-difluorophenyl)acetic acid
InChI:
InChI=1S/C8H7F2NO2/c9-7-4(3-6(12)13)1-2-5(11)8(7)10/h1-2H,3,11H2,(H,12,13)
InChI Key:
PGVRQGJEDKBSET-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(c(c1F)F)N
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.044g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.146g/mol
Monoisotopic Mass:
187.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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