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114474-28-1 | Benzenamine, 4-(1H-pyrazol-4-yl)-
CAS No: 114474-28-1 Catalog No: AG000EHK MDL No:MFCD11932600
Product Description
Catalog Number:
AG000EHK
Chemical Name:
Benzenamine, 4-(1H-pyrazol-4-yl)-
CAS Number:
114474-28-1
Molecular Formula:
C9H9N3
Molecular Weight:
159.1879
MDL Number:
MFCD11932600
IUPAC Name:
4-(1H-pyrazol-4-yl)aniline
InChI:
InChI=1S/C9H9N3/c10-9-3-1-7(2-4-9)8-5-11-12-6-8/h1-6H,10H2,(H,11,12)
InChI Key:
NIIAGRDJQKKSKU-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1c[nH]nc1
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.08g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
159.192g/mol
Monoisotopic Mass:
159.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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