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1393583-34-0 | 1H-Pyrazole, 5-bromo-1,4-dimethyl-
CAS No: 1393583-34-0 Catalog No: AG001AU1 MDL No:MFCD22547955
Product Description
Catalog Number:
AG001AU1
Chemical Name:
1H-Pyrazole, 5-bromo-1,4-dimethyl-
CAS Number:
1393583-34-0
Molecular Formula:
C5H7BrN2
Molecular Weight:
175.0265
MDL Number:
MFCD22547955
IUPAC Name:
5-bromo-1,4-dimethylpyrazole
InChI:
InChI=1S/C5H7BrN2/c1-4-3-7-8(2)5(4)6/h3H,1-2H3
InChI Key:
UKCYRDDMLBDMPK-UHFFFAOYSA-N
SMILES:
Cc1cnn(c1Br)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:
1.6
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