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5775-82-6 | 4-Bromo-1,3-dimethylpyrazole
CAS No: 5775-82-6 Catalog No: AG0033X2 MDL No:MFCD00985488
Product Description
Catalog Number:
AG0033X2
Chemical Name:
4-Bromo-1,3-dimethylpyrazole
CAS Number:
5775-82-6
Molecular Formula:
C5H7BrN2
Molecular Weight:
175.0265
MDL Number:
MFCD00985488
IUPAC Name:
4-bromo-1,3-dimethylpyrazole
InChI:
InChI=1S/C5H7BrN2/c1-4-5(6)3-8(2)7-4/h3H,1-2H3
InChI Key:
UESOBPUTZLYSGI-UHFFFAOYSA-N
SMILES:
Cn1cc(c(n1)C)Br
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:
1.3
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