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1017781-27-9 | 1H-Pyrazol-5-amine, 3-(3-bromophenyl)-1-methyl-
CAS No: 1017781-27-9 Catalog No: AG0005GY MDL No:MFCD06738293
Product Description
Catalog Number:
AG0005GY
Chemical Name:
1H-Pyrazol-5-amine, 3-(3-bromophenyl)-1-methyl-
CAS Number:
1017781-27-9
Molecular Formula:
C10H10BrN3
Molecular Weight:
252.1105
MDL Number:
MFCD06738293
IUPAC Name:
5-(3-bromophenyl)-2-methylpyrazol-3-amine
InChI:
InChI=1S/C10H10BrN3/c1-14-10(12)6-9(13-14)7-3-2-4-8(11)5-7/h2-6H,12H2,1H3
InChI Key:
WYMMPPWLBLRUNA-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)c1cc(n(n1)C)N
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.006g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.115g/mol
Monoisotopic Mass:
251.006g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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