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76982-29-1 | 5-Amino-1-(2,5-dichlorophenyl);-3-methyl-1H-pyrazole-4-carbonitrile
CAS No: 76982-29-1 Catalog No: AG003MC4 MDL No:MFCD10699685
Product Description
Catalog Number:
AG003MC4
Chemical Name:
5-Amino-1-(2,5-dichlorophenyl);-3-methyl-1H-pyrazole-4-carbonitrile
CAS Number:
76982-29-1
Molecular Formula:
C11H8Cl2N4
Molecular Weight:
267.1140
MDL Number:
MFCD10699685
IUPAC Name:
5-amino-1-(2,5-dichlorophenyl)-3-methylpyrazole-4-carbonitrile
InChI:
InChI=1S/C11H8Cl2N4/c1-6-8(5-14)11(15)17(16-6)10-4-7(12)2-3-9(10)13/h2-4H,15H2,1H3
InChI Key:
JDXOZUVWSUHWFR-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)nn(c1N)c1cc(Cl)ccc1Cl
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.013g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.113g/mol
Monoisotopic Mass:
266.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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