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88608-80-4 | Benzene, chloro[(chloroisocyanatophenyl)methyl]isocyanatomethyl-
CAS No: 88608-80-4 Catalog No: AG004AHV MDL No:
Product Description
Catalog Number:
AG004AHV
Chemical Name:
Benzene, chloro[(chloroisocyanatophenyl)methyl]isocyanatomethyl-
CAS Number:
88608-80-4
Molecular Formula:
C16H10Cl2N2O2
Molecular Weight:
333.1688
IUPAC Name:
1-chloro-2-[(3-chloro-2-isocyanatophenyl)methyl]-3-(isocyanatomethyl)benzene
InChI:
InChI=1S/C16H10Cl2N2O2/c17-14-5-2-4-12(8-19-9-21)13(14)7-11-3-1-6-15(18)16(11)20-10-22/h1-6H,7-8H2
InChI Key:
LBBFVNURVWAVBI-UHFFFAOYSA-N
SMILES:
O=C=NCc1cccc(c1Cc1cccc(c1N=C=O)Cl)Cl
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.012g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.168g/mol
Monoisotopic Mass:
332.012g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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