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1260740-11-1 | 1H-Pyrazole-4-carbonitrile, 5-amino-3-[(4-chlorophenoxy)methyl]-1-methyl-
CAS No: 1260740-11-1 Catalog No: AG000R31 MDL No:
Product Description
Catalog Number:
AG000R31
Chemical Name:
1H-Pyrazole-4-carbonitrile, 5-amino-3-[(4-chlorophenoxy)methyl]-1-methyl-
CAS Number:
1260740-11-1
Molecular Formula:
C12H11ClN4O
Molecular Weight:
262.6949
IUPAC Name:
5-amino-3-[(4-chlorophenoxy)methyl]-1-methylpyrazole-4-carbonitrile
InChI:
InChI=1S/C12H11ClN4O/c1-17-12(15)10(6-14)11(16-17)7-18-9-4-2-8(13)3-5-9/h2-5H,7,15H2,1H3
InChI Key:
FAVIRNVJSMEWGB-UHFFFAOYSA-N
SMILES:
N#Cc1c(COc2ccc(cc2)Cl)nn(c1N)C
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.697g/mol
Monoisotopic Mass:
262.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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