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Home > Bromides > 1269291-98-6
1269291-98-6 | 1H-Pyrazole-4-carbonitrile, 5-bromo-1-(2-pyrimidinyl)-
CAS No: 1269291-98-6 Catalog No: AG000TIO MDL No:MFCD17168526
Product Description
Catalog Number:
AG000TIO
Chemical Name:
1H-Pyrazole-4-carbonitrile, 5-bromo-1-(2-pyrimidinyl)-
CAS Number:
1269291-98-6
Molecular Formula:
C8H4BrN5
Molecular Weight:
250.0549
MDL Number:
MFCD17168526
IUPAC Name:
5-bromo-1-pyrimidin-2-ylpyrazole-4-carbonitrile
InChI:
InChI=1S/C8H4BrN5/c9-7-6(4-10)5-13-14(7)8-11-2-1-3-12-8/h1-3,5H
InChI Key:
OUQJKMZTQSIGCI-UHFFFAOYSA-N
SMILES:
N#Cc1cnn(c1Br)c1ncccn1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.965g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.059g/mol
Monoisotopic Mass:
248.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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