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83640-36-2 | 6-(Chloromethyl)nicotinonitrile
CAS No: 83640-36-2 Catalog No: AG004TR1 MDL No:MFCD13189085
Product Description
Catalog Number:
AG004TR1
Chemical Name:
6-(Chloromethyl)nicotinonitrile
CAS Number:
83640-36-2
Molecular Formula:
C7H5ClN2
Molecular Weight:
152.5810
MDL Number:
MFCD13189085
IUPAC Name:
6-(chloromethyl)pyridine-3-carbonitrile
InChI:
InChI=1S/C7H5ClN2/c8-3-7-2-1-6(4-9)5-10-7/h1-2,5H,3H2
InChI Key:
JWMUINMLGIWUHB-UHFFFAOYSA-N
SMILES:
ClCc1ccc(cn1)C#N
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.014g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.581g/mol
Monoisotopic Mass:
152.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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