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1153974-98-1 | Benzoic acid, 2-amino-6-bromo-3-fluoro-
CAS No: 1153974-98-1 Catalog No: AG000FXB MDL No:MFCD12137185
Product Description
Catalog Number:
AG000FXB
Chemical Name:
Benzoic acid, 2-amino-6-bromo-3-fluoro-
CAS Number:
1153974-98-1
Molecular Formula:
C7H5BrFNO2
Molecular Weight:
234.0225
MDL Number:
MFCD12137185
IUPAC Name:
2-amino-6-bromo-3-fluorobenzoic acid
InChI:
InChI=1S/C7H5BrFNO2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,10H2,(H,11,12)
InChI Key:
VZFVWAWYEGYHJI-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Br)ccc(c1N)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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