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88608-81-5 | Benzene, chloroisocyanato[(isocyanatomethylphenyl)methyl]-
CAS No: 88608-81-5 Catalog No: AG004AM4 MDL No:
Product Description
Catalog Number:
AG004AM4
Chemical Name:
Benzene, chloroisocyanato[(isocyanatomethylphenyl)methyl]-
CAS Number:
88608-81-5
Molecular Formula:
C16H11ClN2O2
Molecular Weight:
298.7237
IUPAC Name:
1-chloro-2-isocyanato-3-[[2-(isocyanatomethyl)phenyl]methyl]benzene
InChI:
InChI=1S/C16H11ClN2O2/c17-15-7-3-6-13(16(15)19-11-21)8-12-4-1-2-5-14(12)9-18-10-20/h1-7H,8-9H2
InChI Key:
NGHQSZDQTBTKGG-UHFFFAOYSA-N
SMILES:
O=C=NCc1ccccc1Cc1cccc(c1N=C=O)Cl
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.051g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.726g/mol
Monoisotopic Mass:
298.051g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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