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102423-20-1 | Benzenecarboximidic acid, 4-chloro-N-cyano-, methyl ester
CAS No: 102423-20-1 Catalog No: AG0007G2 MDL No:
Product Description
Catalog Number:
AG0007G2
Chemical Name:
Benzenecarboximidic acid, 4-chloro-N-cyano-, methyl ester
CAS Number:
102423-20-1
Molecular Formula:
C9H7ClN2O
Molecular Weight:
194.6177
IUPAC Name:
methyl 4-chloro-N-cyanobenzenecarboximidate
InChI:
InChI=1S/C9H7ClN2O/c1-13-9(12-6-11)7-2-4-8(10)5-3-7/h2-5H,1H3
InChI Key:
NLJFJAWIYCJIBQ-UHFFFAOYSA-N
SMILES:
COC(=NC#N)c1ccc(cc1)Cl
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.025g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.618g/mol
Monoisotopic Mass:
194.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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