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1015846-17-9 | 1H-Pyrazole-4-methanamine, 3-(4-fluorophenyl)-
CAS No: 1015846-17-9 Catalog No: AG0004VV MDL No:MFCD09802305
Product Description
Catalog Number:
AG0004VV
Chemical Name:
1H-Pyrazole-4-methanamine, 3-(4-fluorophenyl)-
CAS Number:
1015846-17-9
Molecular Formula:
C10H10FN3
Molecular Weight:
191.2049
MDL Number:
MFCD09802305
IUPAC Name:
[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanamine
InChI:
InChI=1S/C10H10FN3/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:
MPUSYMXANVWCCK-UHFFFAOYSA-N
SMILES:
NCc1c[nH]nc1c1ccc(cc1)F
UNII:
14XZY74JB4
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.086g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.209g/mol
Monoisotopic Mass:
191.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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