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245539-10-0 | Benzene, 1,4-dichloro-2-isocyano-
CAS No: 245539-10-0 Catalog No: AG002OIN MDL No:MFCD02664598
Product Description
Catalog Number:
AG002OIN
Chemical Name:
Benzene, 1,4-dichloro-2-isocyano-
CAS Number:
245539-10-0
Molecular Formula:
C7H3Cl2N
Molecular Weight:
172.0114
MDL Number:
MFCD02664598
IUPAC Name:
1,4-dichloro-2-isocyanobenzene
InChI:
InChI=1S/C7H3Cl2N/c1-10-7-4-5(8)2-3-6(7)9/h2-4H
InChI Key:
XWTFRFDJAYBRHE-UHFFFAOYSA-N
SMILES:
[C-]#[N+]c1cc(Cl)ccc1Cl
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.964g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.008g/mol
Monoisotopic Mass:
170.964g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
4.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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