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1022961-12-1 | Benzoic acid, 2-amino-3-chloro-5-fluoro-
CAS No: 1022961-12-1 Catalog No: AG00074P MDL No:MFCD11193640
Product Description
Catalog Number:
AG00074P
Chemical Name:
Benzoic acid, 2-amino-3-chloro-5-fluoro-
CAS Number:
1022961-12-1
Molecular Formula:
C7H5ClFNO2
Molecular Weight:
189.5715
MDL Number:
MFCD11193640
IUPAC Name:
2-amino-3-chloro-5-fluorobenzoic acid
InChI:
InChI=1S/C7H5ClFNO2/c8-5-2-3(9)1-4(6(5)10)7(11)12/h1-2H,10H2,(H,11,12)
InChI Key:
VVVXUPVSKDWTEH-UHFFFAOYSA-N
SMILES:
Fc1cc(Cl)c(c(c1)C(=O)O)N
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.999g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.57g/mol
Monoisotopic Mass:
188.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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