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88608-83-7 | Benzene, bis[(chloroisocyanatophenyl)methyl]isocyanatomethyl-
CAS No: 88608-83-7 Catalog No: AG004AM3 MDL No:
Product Description
Catalog Number:
AG004AM3
Chemical Name:
Benzene, bis[(chloroisocyanatophenyl)methyl]isocyanatomethyl-
CAS Number:
88608-83-7
Molecular Formula:
C24H15Cl2N3O3
Molecular Weight:
464.3002
IUPAC Name:
1,2-bis[(3-chloro-2-isocyanatophenyl)methyl]-3-(isocyanatomethyl)benzene
InChI:
InChI=1S/C24H15Cl2N3O3/c25-21-8-2-5-17(23(21)28-14-31)10-16-4-1-7-19(12-27-13-30)20(16)11-18-6-3-9-22(26)24(18)29-15-32/h1-9H,10-12H2
InChI Key:
PBFLGWCRKPTPTF-UHFFFAOYSA-N
SMILES:
O=C=NCc1cccc(c1Cc1cccc(c1N=C=O)Cl)Cc1cccc(c1N=C=O)Cl
Properties
Complexity:
762
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
463.049g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
464.302g/mol
Monoisotopic Mass:
463.049g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4
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