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1006-41-3 | Benzoic acid, 2-bromo-4-fluoro-
CAS No: 1006-41-3 Catalog No: AG0002G0 MDL No:MFCD00055370
Product Description
Catalog Number:
AG0002G0
Chemical Name:
Benzoic acid, 2-bromo-4-fluoro-
CAS Number:
1006-41-3
Molecular Formula:
C7H4BrFO2
Molecular Weight:
219.0079
MDL Number:
MFCD00055370
IUPAC Name:
2-bromo-4-fluorobenzoic acid
InChI:
InChI=1S/C7H4BrFO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H,10,11)
InChI Key:
RRKPMLZRLKTDQV-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)Br)C(=O)O
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.938g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.009g/mol
Monoisotopic Mass:
217.938g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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