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15801-69-1 | 1H-Pyrazole, 4-bromo-1,3,5-trimethyl-
CAS No: 15801-69-1 Catalog No: AG001PX2 MDL No:MFCD00052532
Product Description
Catalog Number:
AG001PX2
Chemical Name:
1H-Pyrazole, 4-bromo-1,3,5-trimethyl-
CAS Number:
15801-69-1
Molecular Formula:
C6H9BrN2
Molecular Weight:
189.0531
MDL Number:
MFCD00052532
IUPAC Name:
4-bromo-1,3,5-trimethylpyrazole
InChI:
InChI=1S/C6H9BrN2/c1-4-6(7)5(2)9(3)8-4/h1-3H3
InChI Key:
UNTQXOJGXGRHMG-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1Br)C)C
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.995g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.056g/mol
Monoisotopic Mass:
187.995g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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