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14678-97-8 | 1H-Pyrazol-5-amine, 1-(4-chlorophenyl)-
CAS No: 14678-97-8 Catalog No: AG001EC2 MDL No:MFCD11641435
Product Description
Catalog Number:
AG001EC2
Chemical Name:
1H-Pyrazol-5-amine, 1-(4-chlorophenyl)-
CAS Number:
14678-97-8
Molecular Formula:
C9H8ClN3
Molecular Weight:
193.6329
MDL Number:
MFCD11641435
IUPAC Name:
2-(4-chlorophenyl)pyrazol-3-amine
InChI:
InChI=1S/C9H8ClN3/c10-7-1-3-8(4-2-7)13-9(11)5-6-12-13/h1-6H,11H2
InChI Key:
IYXYXQGSWRTPHX-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)n1nccc1N
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.041g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.634g/mol
Monoisotopic Mass:
193.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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