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19752-09-1 | Benzene, 1,2-dichloro-4-(isocyanatomethyl)-
CAS No: 19752-09-1 Catalog No: AG002AVG MDL No:MFCD00673063
Product Description
Catalog Number:
AG002AVG
Chemical Name:
Benzene, 1,2-dichloro-4-(isocyanatomethyl)-
CAS Number:
19752-09-1
Molecular Formula:
C8H5Cl2NO
Molecular Weight:
202.0374
MDL Number:
MFCD00673063
IUPAC Name:
1,2-dichloro-4-(isocyanatomethyl)benzene
InChI:
InChI=1S/C8H5Cl2NO/c9-7-2-1-6(3-8(7)10)4-11-5-12/h1-3H,4H2
InChI Key:
WLNAHQZFPSSVTP-UHFFFAOYSA-N
SMILES:
O=C=NCc1ccc(c(c1)Cl)Cl
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.975g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.034g/mol
Monoisotopic Mass:
200.975g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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