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1160995-48-1 | 2-Pyrimidinecarbonitrile, 4-bromo-
CAS No: 1160995-48-1 Catalog No: AG000BMI MDL No:MFCD12400798
Product Description
Catalog Number:
AG000BMI
Chemical Name:
2-Pyrimidinecarbonitrile, 4-bromo-
CAS Number:
1160995-48-1
Molecular Formula:
C5H2BrN3
Molecular Weight:
183.9935
MDL Number:
MFCD12400798
IUPAC Name:
4-bromopyrimidine-2-carbonitrile
InChI:
InChI=1S/C5H2BrN3/c6-4-1-2-8-5(3-7)9-4/h1-2H
InChI Key:
IPBOWNBJKYDXQB-UHFFFAOYSA-N
SMILES:
Brc1ccnc(n1)C#N
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:
1.3
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