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287922-71-8 | 1H-Pyrazole-3-carbonitrile, 4-bromo-1-methyl-
CAS No: 287922-71-8 Catalog No: AG002WGX MDL No:MFCD00103545
Product Description
Catalog Number:
AG002WGX
Chemical Name:
1H-Pyrazole-3-carbonitrile, 4-bromo-1-methyl-
CAS Number:
287922-71-8
Molecular Formula:
C5H4BrN3
Molecular Weight:
186.0094
MDL Number:
MFCD00103545
IUPAC Name:
4-bromo-1-methylpyrazole-3-carbonitrile
InChI:
InChI=1S/C5H4BrN3/c1-9-3-4(6)5(2-7)8-9/h3H,1H3
InChI Key:
NTTLCOOFUGHMJS-UHFFFAOYSA-N
SMILES:
N#Cc1nn(cc1Br)C
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.959g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.012g/mol
Monoisotopic Mass:
184.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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