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10278-20-3 | Benzoyl isocyanate, 3,4-dichloro-
CAS No: 10278-20-3 Catalog No: AG0008CQ MDL No:
Product Description
Catalog Number:
AG0008CQ
Chemical Name:
Benzoyl isocyanate, 3,4-dichloro-
CAS Number:
10278-20-3
Molecular Formula:
C8H3Cl2NO2
Molecular Weight:
216.0209
IUPAC Name:
3,4-dichlorobenzoyl isocyanate
InChI:
InChI=1S/C8H3Cl2NO2/c9-6-2-1-5(3-7(6)10)8(13)11-4-12/h1-3H
InChI Key:
LNAMONHYXJTAHL-UHFFFAOYSA-N
SMILES:
O=C=NC(=O)c1ccc(c(c1)Cl)Cl
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.954g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.017g/mol
Monoisotopic Mass:
214.954g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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