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114969-85-6 | 4-Pyrimidinecarbonitrile, 5-bromo-6-methyl-
CAS No: 114969-85-6 Catalog No: AG000FIW MDL No:MFCD18804001
Product Description
Catalog Number:
AG000FIW
Chemical Name:
4-Pyrimidinecarbonitrile, 5-bromo-6-methyl-
CAS Number:
114969-85-6
Molecular Formula:
C6H4BrN3
Molecular Weight:
198.0201
MDL Number:
MFCD18804001
IUPAC Name:
5-bromo-6-methylpyrimidine-4-carbonitrile
InChI:
InChI=1S/C6H4BrN3/c1-4-6(7)5(2-8)10-3-9-4/h3H,1H3
InChI Key:
IHVQXLDXNIMTEY-UHFFFAOYSA-N
SMILES:
N#Cc1ncnc(c1Br)C
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.959g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.023g/mol
Monoisotopic Mass:
196.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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