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114969-66-3 | 4-Pyrimidinecarbonitrile, 5-bromo-
CAS No: 114969-66-3 Catalog No: AG000FHN MDL No:MFCD09999211
Product Description
Catalog Number:
AG000FHN
Chemical Name:
4-Pyrimidinecarbonitrile, 5-bromo-
CAS Number:
114969-66-3
Molecular Formula:
C5H2BrN3
Molecular Weight:
183.9935
MDL Number:
MFCD09999211
IUPAC Name:
5-bromopyrimidine-4-carbonitrile
InChI:
InChI=1S/C5H2BrN3/c6-4-2-8-3-9-5(4)1-7/h2-3H
InChI Key:
NVDDWOVFQZUEGS-UHFFFAOYSA-N
SMILES:
N#Cc1ncncc1Br
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.943g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.996g/mol
Monoisotopic Mass:
182.943g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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