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394-28-5 | 2-Bromo-5-Fluorobenzoic Acid
CAS No: 394-28-5 Catalog No: AG00335M MDL No:MFCD00142874
Product Description
Catalog Number:
AG00335M
Chemical Name:
2-Bromo-5-Fluorobenzoic Acid
CAS Number:
394-28-5
Molecular Formula:
C7H4BrFO2
Molecular Weight:
219.0079
MDL Number:
MFCD00142874
IUPAC Name:
2-bromo-5-fluorobenzoic acid
InChI:
InChI=1S/C7H4BrFO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11)
InChI Key:
OQBMJMJZMDBQSM-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C(=O)O)Br
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:
3.1
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