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1159982-97-4 | Pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 7-chloro-
CAS No: 1159982-97-4 Catalog No: AG000HF6 MDL No:MFCD11109843
Product Description
Catalog Number:
AG000HF6
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 7-chloro-
CAS Number:
1159982-97-4
Molecular Formula:
C7H3ClN4
Molecular Weight:
178.5785
MDL Number:
MFCD11109843
IUPAC Name:
7-chloropyrazolo[1,5-a]pyrimidine-3-carbonitrile
InChI:
InChI=1S/C7H3ClN4/c8-6-1-2-10-7-5(3-9)4-11-12(6)7/h1-2,4H
InChI Key:
XXUKSBBIJKPEOT-UHFFFAOYSA-N
SMILES:
N#Cc1cnn2c1nccc2Cl
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.005g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.579g/mol
Monoisotopic Mass:
178.005g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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