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1020052-19-0 | 1H-Pyrazole-4-methanamine, 3-(4-chlorophenyl)-
CAS No: 1020052-19-0 Catalog No: AG0006AO MDL No:MFCD08146630
Product Description
Catalog Number:
AG0006AO
Chemical Name:
1H-Pyrazole-4-methanamine, 3-(4-chlorophenyl)-
CAS Number:
1020052-19-0
Molecular Formula:
C10H10ClN3
Molecular Weight:
207.6595
MDL Number:
MFCD08146630
IUPAC Name:
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanamine
InChI:
InChI=1S/C10H10ClN3/c11-9-3-1-7(2-4-9)10-8(5-12)6-13-14-10/h1-4,6H,5,12H2,(H,13,14)
InChI Key:
HUZOCOJYLREAJA-UHFFFAOYSA-N
SMILES:
NCc1c[nH]nc1c1ccc(cc1)Cl
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.056g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.661g/mol
Monoisotopic Mass:
207.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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