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1269291-11-3 | 1H-Pyrazole-4-carbonitrile, 5-bromo-1-(2-chlorophenyl)-
CAS No: 1269291-11-3 Catalog No: AG000TH4 MDL No:MFCD17168508
Product Description
Catalog Number:
AG000TH4
Chemical Name:
1H-Pyrazole-4-carbonitrile, 5-bromo-1-(2-chlorophenyl)-
CAS Number:
1269291-11-3
Molecular Formula:
C10H5BrClN3
Molecular Weight:
282.5238
MDL Number:
MFCD17168508
IUPAC Name:
5-bromo-1-(2-chlorophenyl)pyrazole-4-carbonitrile
InChI:
InChI=1S/C10H5BrClN3/c11-10-7(5-13)6-14-15(10)9-4-2-1-3-8(9)12/h1-4,6H
InChI Key:
LCWCLFDKWRDUSC-UHFFFAOYSA-N
SMILES:
N#Cc1cnn(c1Br)c1ccccc1Cl
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.936g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.525g/mol
Monoisotopic Mass:
280.936g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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