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143945-65-7 | Benzoic acid, 2-amino-5-bromo-4-fluoro-
CAS No: 143945-65-7 Catalog No: AG001IMV MDL No:MFCD06409112
Product Description
Catalog Number:
AG001IMV
Chemical Name:
Benzoic acid, 2-amino-5-bromo-4-fluoro-
CAS Number:
143945-65-7
Molecular Formula:
C7H5BrFNO2
Molecular Weight:
234.0225
MDL Number:
MFCD06409112
IUPAC Name:
2-amino-5-bromo-4-fluorobenzoic acid
InChI:
InChI=1S/C7H5BrFNO2/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,10H2,(H,11,12)
InChI Key:
RPHQHEBXMAGQKB-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(Br)c(cc1N)F
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.949g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.024g/mol
Monoisotopic Mass:
232.949g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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