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5744-80-9 | 3-Bromo-1,5-dimethyl-1H-pyrazole
CAS No: 5744-80-9 Catalog No: AG0039S3 MDL No:MFCD09991542
Product Description
Catalog Number:
AG0039S3
Chemical Name:
3-Bromo-1,5-dimethyl-1H-pyrazole
CAS Number:
5744-80-9
Molecular Formula:
C5H7BrN2
Molecular Weight:
175.0265
MDL Number:
MFCD09991542
IUPAC Name:
3-bromo-1,5-dimethylpyrazole
InChI:
InChI=1S/C5H7BrN2/c1-4-3-5(6)7-8(4)2/h3H,1-2H3
InChI Key:
NELVNOMSYNLQGQ-UHFFFAOYSA-N
SMILES:
Brc1nn(c(c1)C)C
Properties
Complexity:
86.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.979g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.029g/mol
Monoisotopic Mass:
173.979g/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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