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88457-33-4 | Benzene, 2-isocyanato-4-(isocyanatomethyl)-1-methyl-
CAS No: 88457-33-4 Catalog No: AG004FIK MDL No:
Product Description
Catalog Number:
AG004FIK
Chemical Name:
Benzene, 2-isocyanato-4-(isocyanatomethyl)-1-methyl-
CAS Number:
88457-33-4
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
IUPAC Name:
2-isocyanato-4-(isocyanatomethyl)-1-methylbenzene
InChI:
InChI=1S/C10H8N2O2/c1-8-2-3-9(5-11-6-13)4-10(8)12-7-14/h2-4H,5H2,1H3
InChI Key:
IHYDRUJXMGSQDX-UHFFFAOYSA-N
SMILES:
O=C=NCc1ccc(c(c1)N=C=O)C
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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