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132715-69-6 | Benzoic acid, 2-bromo-3-fluoro-
CAS No: 132715-69-6 Catalog No: AG00111K MDL No:MFCD01569398
Product Description
Catalog Number:
AG00111K
Chemical Name:
Benzoic acid, 2-bromo-3-fluoro-
CAS Number:
132715-69-6
Molecular Formula:
C7H4BrFO2
Molecular Weight:
219.0079
MDL Number:
MFCD01569398
IUPAC Name:
2-bromo-3-fluorobenzoic acid
InChI:
InChI=1S/C7H4BrFO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3H,(H,10,11)
InChI Key:
KQRCBMPPEPNNDS-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1Br)F
NSC Number:
190303
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:
2.2
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