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130047-16-4 | Benzoic acid, 2-amino-4-fluoro-, hydrochloride (1:1)
CAS No: 130047-16-4 Catalog No: AG000TXJ MDL No:MFCD26548106
Product Description
Catalog Number:
AG000TXJ
Chemical Name:
Benzoic acid, 2-amino-4-fluoro-, hydrochloride (1:1)
CAS Number:
130047-16-4
Molecular Formula:
C7H7ClFNO2
Molecular Weight:
191.5874
MDL Number:
MFCD26548106
IUPAC Name:
2-amino-4-fluorobenzoic acid;hydrochloride
InChI:
InChI=1S/C7H6FNO2.ClH/c8-4-1-2-5(7(10)11)6(9)3-4;/h1-3H,9H2,(H,10,11);1H
InChI Key:
DBWFOCBBIGLZCM-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)N)C(=O)O.Cl
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.015g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
191.586g/mol
Monoisotopic Mass:
191.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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