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1017785-80-6 | Benzenemethanamine, 4-(1H-pyrazol-3-yl)-
CAS No: 1017785-80-6 Catalog No: AG0005JB MDL No:MFCD11200994
Product Description
Catalog Number:
AG0005JB
Chemical Name:
Benzenemethanamine, 4-(1H-pyrazol-3-yl)-
CAS Number:
1017785-80-6
Molecular Formula:
C10H11N3
Molecular Weight:
173.2144
MDL Number:
MFCD11200994
IUPAC Name:
[4-(1H-pyrazol-5-yl)phenyl]methanamine
InChI:
InChI=1S/C10H11N3/c11-7-8-1-3-9(4-2-8)10-5-6-12-13-10/h1-6H,7,11H2,(H,12,13)
InChI Key:
PVJHXROUKGNRNK-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1)c1n[nH]cc1
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
173.219g/mol
Monoisotopic Mass:
173.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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