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175137-59-4 | 1H-Pyrazole-1-acetonitrile, 4-bromo-3,5-dimethyl-
CAS No: 175137-59-4 Catalog No: AG0020CJ MDL No:MFCD00084904
Product Description
Catalog Number:
AG0020CJ
Chemical Name:
1H-Pyrazole-1-acetonitrile, 4-bromo-3,5-dimethyl-
CAS Number:
175137-59-4
Molecular Formula:
C7H8BrN3
Molecular Weight:
214.0625
MDL Number:
MFCD00084904
IUPAC Name:
2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetonitrile
InChI:
InChI=1S/C7H8BrN3/c1-5-7(8)6(2)11(10-5)4-3-9/h4H2,1-2H3
InChI Key:
QQTALTIGHKIMSM-UHFFFAOYSA-N
SMILES:
N#CCn1nc(c(c1C)Br)C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.99g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.066g/mol
Monoisotopic Mass:
212.99g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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