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88310-53-6 | Carbamic acid, ethenyl-, 4-chloro-2-cyanophenyl ester
CAS No: 88310-53-6 Catalog No: AG0048NO MDL No:
Product Description
Catalog Number:
AG0048NO
Chemical Name:
Carbamic acid, ethenyl-, 4-chloro-2-cyanophenyl ester
CAS Number:
88310-53-6
Molecular Formula:
C10H7ClN2O2
Molecular Weight:
222.6278
IUPAC Name:
(4-chloro-2-cyanophenyl) N-ethenylcarbamate
InChI:
InChI=1S/C10H7ClN2O2/c1-2-13-10(14)15-9-4-3-8(11)5-7(9)6-12/h2-5H,1H2,(H,13,14)
InChI Key:
YOAHYFOXHKAPDZ-UHFFFAOYSA-N
SMILES:
C=CNC(=O)Oc1ccc(cc1C#N)Cl
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.02g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.628g/mol
Monoisotopic Mass:
222.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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