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91591-63-8 | 2,5-Dichloro-4,6-dimethylnicotinonitrile
CAS No: 91591-63-8 Catalog No: AG003305 MDL No:MFCD00052631
Product Description
Catalog Number:
AG003305
Chemical Name:
2,5-Dichloro-4,6-dimethylnicotinonitrile
CAS Number:
91591-63-8
Molecular Formula:
C8H6Cl2N2
Molecular Weight:
201.0526
MDL Number:
MFCD00052631
IUPAC Name:
2,5-dichloro-4,6-dimethylpyridine-3-carbonitrile
InChI:
InChI=1S/C8H6Cl2N2/c1-4-6(3-11)8(10)12-5(2)7(4)9/h1-2H3
InChI Key:
UCGWYTUBYASPFG-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)nc(c(c1C)Cl)C
EC Number:
639-346-8
NSC Number:
341973
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.991g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.05g/mol
Monoisotopic Mass:
199.991g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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