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176548-70-2 | Benzoic acid, 3-bromo-5-fluoro-
CAS No: 176548-70-2 Catalog No: AG0024QU MDL No:MFCD01569540
Product Description
Catalog Number:
AG0024QU
Chemical Name:
Benzoic acid, 3-bromo-5-fluoro-
CAS Number:
176548-70-2
Molecular Formula:
C7H4BrFO2
Molecular Weight:
219.0079
MDL Number:
MFCD01569540
IUPAC Name:
3-bromo-5-fluorobenzoic acid
InChI:
InChI=1S/C7H4BrFO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
InChI Key:
KLSLJMGWUPAQGZ-UHFFFAOYSA-N
SMILES:
Fc1cc(Br)cc(c1)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:
2.4
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