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114078-84-1 | 1H-Pyrazol-1-amine, 4-bromo-3,5-dimethyl-
CAS No: 114078-84-1 Catalog No: AG000AIG MDL No:
Product Description
Catalog Number:
AG000AIG
Chemical Name:
1H-Pyrazol-1-amine, 4-bromo-3,5-dimethyl-
CAS Number:
114078-84-1
Molecular Formula:
C5H8BrN3
Molecular Weight:
190.0411
IUPAC Name:
4-bromo-3,5-dimethylpyrazol-1-amine
InChI:
InChI=1S/C5H8BrN3/c1-3-5(6)4(2)9(7)8-3/h7H2,1-2H3
InChI Key:
NOZRLYXICHCXGH-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1Br)C)N
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.99g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.044g/mol
Monoisotopic Mass:
188.99g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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