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126417-84-3

126417-84-3 | 1H-Pyrazol-5-amine, 3-(4-bromophenyl)-1-methyl-

CAS No: 126417-84-3 Catalog No: AG000SS3 MDL No:MFCD00558940

Product Description

Catalog Number:
AG000SS3
Chemical Name:
1H-Pyrazol-5-amine, 3-(4-bromophenyl)-1-methyl-
CAS Number:
126417-84-3
Molecular Formula:
C10H10BrN3
Molecular Weight:
252.1105
MDL Number:
MFCD00558940
IUPAC Name:
5-(4-bromophenyl)-2-methylpyrazol-3-amine
InChI:
InChI=1S/C10H10BrN3/c1-14-10(12)6-9(13-14)7-2-4-8(11)5-3-7/h2-6H,12H2,1H3
InChI Key:
KUESYSPYXWCXTQ-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1nn(c(c1)N)C

Properties

Complexity:
192  
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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