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1258298-29-1 | Benzoic acid, 2-chloro-4-cyano-6-fluoro-
CAS No: 1258298-29-1 Catalog No: AG000OSO MDL No:MFCD22690817
Product Description
Catalog Number:
AG000OSO
Chemical Name:
Benzoic acid, 2-chloro-4-cyano-6-fluoro-
CAS Number:
1258298-29-1
Molecular Formula:
C8H3ClFNO2
Molecular Weight:
199.5663
MDL Number:
MFCD22690817
IUPAC Name:
2-chloro-4-cyano-6-fluorobenzoic acid
InChI:
InChI=1S/C8H3ClFNO2/c9-5-1-4(3-11)2-6(10)7(5)8(12)13/h1-2H,(H,12,13)
InChI Key:
WWFWDVYYRPLSKP-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)c(c(c1)Cl)C(=O)O
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.984g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.565g/mol
Monoisotopic Mass:
198.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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