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Home > Bromides > 1823375-05-8
1823375-05-8 | 5-Oxazolecarbonitrile, 2-bromo-4-methyl-
CAS No: 1823375-05-8 Catalog No: AG0023NT MDL No:
Product Description
Catalog Number:
AG0023NT
Chemical Name:
5-Oxazolecarbonitrile, 2-bromo-4-methyl-
CAS Number:
1823375-05-8
Molecular Formula:
C5H3BrN2O
Molecular Weight:
186.9941
IUPAC Name:
2-bromo-4-methyl-1,3-oxazole-5-carbonitrile
InChI:
InChI=1S/C5H3BrN2O/c1-3-4(2-7)9-5(6)8-3/h1H3
InChI Key:
ZPPLUYWEZVPQPW-UHFFFAOYSA-N
SMILES:
N#Cc1oc(nc1C)Br
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.943g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.996g/mol
Monoisotopic Mass:
185.943g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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