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1245643-85-9 | Ethanone, 1-(5-bromo-4-pyrimidinyl)-
CAS No: 1245643-85-9 Catalog No: AG000M92 MDL No:MFCD13193452
Product Description
Catalog Number:
AG000M92
Chemical Name:
Ethanone, 1-(5-bromo-4-pyrimidinyl)-
CAS Number:
1245643-85-9
Molecular Formula:
C6H5BrN2O
Molecular Weight:
201.0207
MDL Number:
MFCD13193452
IUPAC Name:
1-(5-bromopyrimidin-4-yl)ethanone
InChI:
InChI=1S/C6H5BrN2O/c1-4(10)6-5(7)2-8-3-9-6/h2-3H,1H3
InChI Key:
WQUHHYJBSJJZQU-UHFFFAOYSA-N
SMILES:
CC(=O)c1ncncc1Br
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.959g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.023g/mol
Monoisotopic Mass:
199.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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