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143875-94-9 | Carbamic chloride, (2-cyanophenyl)methyl- (9CI)
CAS No: 143875-94-9 Catalog No: AG001IIR MDL No:
Product Description
Catalog Number:
AG001IIR
Chemical Name:
Carbamic chloride, (2-cyanophenyl)methyl- (9CI)
CAS Number:
143875-94-9
Molecular Formula:
C9H7ClN2O
Molecular Weight:
194.6177
IUPAC Name:
N-[(2-cyanophenyl)methyl]carbamoyl chloride
InChI:
InChI=1S/C9H7ClN2O/c10-9(13)12-6-8-4-2-1-3-7(8)5-11/h1-4H,6H2,(H,12,13)
InChI Key:
KMAJBLKALUFVOW-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1CNC(=O)Cl
Properties
Complexity:
233
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.618g/mol
Monoisotopic Mass:
194.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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