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159088-44-5 | 1H-Imidazole-1-acetonitrile, 4,5-dichloro-
CAS No: 159088-44-5 Catalog No: AG001QGD MDL No:MFCD00052517
Product Description
Catalog Number:
AG001QGD
Chemical Name:
1H-Imidazole-1-acetonitrile, 4,5-dichloro-
CAS Number:
159088-44-5
Molecular Formula:
C5H3Cl2N3
Molecular Weight:
176.0034
MDL Number:
MFCD00052517
IUPAC Name:
2-(4,5-dichloroimidazol-1-yl)acetonitrile
InChI:
InChI=1S/C5H3Cl2N3/c6-4-5(7)10(2-1-8)3-9-4/h3H,2H2
InChI Key:
FZUIQPFFPQTJHU-UHFFFAOYSA-N
SMILES:
Clc1c(Cl)ncn1CC#N
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.97g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176g/mol
Monoisotopic Mass:
174.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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