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102940-86-3 | 2-Chloro-3-fluorobenzoic acid
CAS No: 102940-86-3 Catalog No: AG003GVF MDL No:MFCD00973903
Product Description
Catalog Number:
AG003GVF
Chemical Name:
2-Chloro-3-fluorobenzoic acid
CAS Number:
102940-86-3
Molecular Formula:
C7H4ClFO2
Molecular Weight:
174.5569
MDL Number:
MFCD00973903
IUPAC Name:
2-chloro-3-fluorobenzoic acid
InChI:
InChI=1S/C7H4ClFO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3H,(H,10,11)
InChI Key:
WJYAYXKXZNITAZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1Cl)F
NSC Number:
190300
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.988g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.555g/mol
Monoisotopic Mass:
173.988g/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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