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456-22-4 | 4-Fluorobenzoic Acid
CAS No: 456-22-4 Catalog No: AG00341D MDL No:MFCD00002530
Product Description
Catalog Number:
AG00341D
Chemical Name:
4-Fluorobenzoic Acid
CAS Number:
456-22-4
Molecular Formula:
C7H5FO2
Molecular Weight:
140.1118
MDL Number:
MFCD00002530
IUPAC Name:
4-fluorobenzoic acid
InChI:
InChI=1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChI Key:
BBYDXOIZLAWGSL-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)F
EC Number:
207-259-0
UNII:
V5ROO2HOU4
NSC Number:
10321
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.027g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.113g/mol
Monoisotopic Mass:
140.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
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|---|---|
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