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2365-85-7 | Benzoic acid, 3-amino-4-fluoro-
CAS No: 2365-85-7 Catalog No: AG002O18 MDL No:MFCD00130055
Product Description
Catalog Number:
AG002O18
Chemical Name:
Benzoic acid, 3-amino-4-fluoro-
CAS Number:
2365-85-7
Molecular Formula:
C7H6FNO2
Molecular Weight:
155.1264
MDL Number:
MFCD00130055
IUPAC Name:
3-amino-4-fluorobenzoic acid
InChI:
InChI=1S/C7H6FNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11)
InChI Key:
WFSPEVFSRUTRCN-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)N)F
EC Number:
219-122-2
NSC Number:
127014
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.038g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
155.128g/mol
Monoisotopic Mass:
155.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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