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149246-80-0 | 1H-Pyrazol-3-amine, 5-(2-bromophenyl)-
CAS No: 149246-80-0 Catalog No: AG001LHW MDL No:
Product Description
Catalog Number:
AG001LHW
Chemical Name:
1H-Pyrazol-3-amine, 5-(2-bromophenyl)-
CAS Number:
149246-80-0
Molecular Formula:
C9H8BrN3
Molecular Weight:
238.0839
IUPAC Name:
5-(2-bromophenyl)-1H-pyrazol-3-amine
InChI:
InChI=1S/C9H8BrN3/c10-7-4-2-1-3-6(7)8-5-9(11)13-12-8/h1-5H,(H3,11,12,13)
InChI Key:
XXYPTBHOALDDSN-UHFFFAOYSA-N
SMILES:
Nc1n[nH]c(c1)c1ccccc1Br
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.99g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.088g/mol
Monoisotopic Mass:
236.99g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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