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199327-33-8 | Benzeneacetic acid, α-amino-3,5-difluoro-
CAS No: 199327-33-8 Catalog No: AG002C2F MDL No:MFCD06660157
Product Description
Catalog Number:
AG002C2F
Chemical Name:
Benzeneacetic acid, α-amino-3,5-difluoro-
CAS Number:
199327-33-8
Molecular Formula:
C8H7F2NO2
Molecular Weight:
187.1435
MDL Number:
MFCD06660157
IUPAC Name:
2-amino-2-(3,5-difluorophenyl)acetic acid
InChI:
InChI=1S/C8H7F2NO2/c9-5-1-4(2-6(10)3-5)7(11)8(12)13/h1-3,7H,11H2,(H,12,13)
InChI Key:
VQMIPXXHDSGKJJ-UHFFFAOYSA-N
SMILES:
NC(c1cc(F)cc(c1)F)C(=O)O
Properties
Complexity:
191
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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