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1799764-92-3 | 5-Pyrimidinecarbonitrile, 2-(bromomethyl)-
CAS No: 1799764-92-3 Catalog No: AG0021JF MDL No:
Product Description
Catalog Number:
AG0021JF
Chemical Name:
5-Pyrimidinecarbonitrile, 2-(bromomethyl)-
CAS Number:
1799764-92-3
Molecular Formula:
C6H4BrN3
Molecular Weight:
198.0201
IUPAC Name:
2-(bromomethyl)pyrimidine-5-carbonitrile
InChI:
InChI=1S/C6H4BrN3/c7-1-6-9-3-5(2-8)4-10-6/h3-4H,1H2
InChI Key:
UMJNIVUGUARRMJ-UHFFFAOYSA-N
SMILES:
BrCc1ncc(cn1)C#N
Properties
Complexity:
142
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:
1
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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