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29173-66-8 | Benzene, 4-chloro-2-(dichloromethyl)-1-isocyanato-
CAS No: 29173-66-8 Catalog No: AG002XKT MDL No:
Product Description
Catalog Number:
AG002XKT
Chemical Name:
Benzene, 4-chloro-2-(dichloromethyl)-1-isocyanato-
CAS Number:
29173-66-8
Molecular Formula:
C8H4Cl3NO
Molecular Weight:
236.4825
IUPAC Name:
4-chloro-2-(dichloromethyl)-1-isocyanatobenzene
InChI:
InChI=1S/C8H4Cl3NO/c9-5-1-2-7(12-4-13)6(3-5)8(10)11/h1-3,8H
InChI Key:
DHFPSLUIRDEKRI-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1C(Cl)Cl)Cl
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.936g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.476g/mol
Monoisotopic Mass:
234.936g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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