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6972-36-7 | 5-amino-2-chloro-4,6-dimethylpyridine-3-carbonitrile
CAS No: 6972-36-7 Catalog No: AG005IRY MDL No:MFCD20697313
Product Description
Catalog Number:
AG005IRY
Chemical Name:
5-amino-2-chloro-4,6-dimethylpyridine-3-carbonitrile
CAS Number:
6972-36-7
Molecular Formula:
C8H8ClN3
Molecular Weight:
181.6222
MDL Number:
MFCD20697313
IUPAC Name:
5-amino-2-chloro-4,6-dimethylpyridine-3-carbonitrile
InChI:
InChI=1S/C8H8ClN3/c1-4-6(3-10)8(9)12-5(2)7(4)11/h11H2,1-2H3
InChI Key:
RPRGFOOFJMWOOI-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)nc(c(c1C)N)C
NSC Number:
61974
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.041g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.623g/mol
Monoisotopic Mass:
181.041g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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