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13745-59-0 | 1H-Pyrazole, 3-bromo-1,4-dimethyl-
CAS No: 13745-59-0 Catalog No: AG0013B4 MDL No:
Product Description
Catalog Number:
AG0013B4
Chemical Name:
1H-Pyrazole, 3-bromo-1,4-dimethyl-
CAS Number:
13745-59-0
Molecular Formula:
C5H7BrN2
Molecular Weight:
175.0265
IUPAC Name:
3-bromo-1,4-dimethylpyrazole
InChI:
InChI=1S/C5H7BrN2/c1-4-3-8(2)7-5(4)6/h3H,1-2H3
InChI Key:
SEHRYTWQMFUOBZ-UHFFFAOYSA-N
SMILES:
Cn1cc(c(n1)Br)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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