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Home > Bromides > 1189169-37-6
1189169-37-6 | 1-(5-Bromopyrimidin-2-yl)ethanone
CAS No: 1189169-37-6 Catalog No: AG0032IU MDL No:MFCD18909512
Product Description
Catalog Number:
AG0032IU
Chemical Name:
1-(5-Bromopyrimidin-2-yl)ethanone
CAS Number:
1189169-37-6
Molecular Formula:
C6H5BrN2O
Molecular Weight:
201.0207
MDL Number:
MFCD18909512
IUPAC Name:
1-(5-bromopyrimidin-2-yl)ethanone
InChI:
InChI=1S/C6H5BrN2O/c1-4(10)6-8-2-5(7)3-9-6/h2-3H,1H3
InChI Key:
NZGSEUQFYKCKRU-UHFFFAOYSA-N
SMILES:
CC(=O)c1ncc(cn1)Br
Properties
Complexity:
132
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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