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1027512-98-6 | Benzoic acid, 4-amino-3-bromo-5-fluoro-
CAS No: 1027512-98-6 Catalog No: AG0008A4 MDL No:MFCD09800713
Product Description
Catalog Number:
AG0008A4
Chemical Name:
Benzoic acid, 4-amino-3-bromo-5-fluoro-
CAS Number:
1027512-98-6
Molecular Formula:
C7H5BrFNO2
Molecular Weight:
234.0225
MDL Number:
MFCD09800713
IUPAC Name:
4-amino-3-bromo-5-fluorobenzoic acid
InChI:
InChI=1S/C7H5BrFNO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,10H2,(H,11,12)
InChI Key:
PJVAVLLTKLXTFX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)c(c(c1)Br)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:
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:
1.6
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