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1312815-21-6 | Ethanone, 2-bromo-1-(2-chloro-4-pyrimidinyl)-
CAS No: 1312815-21-6 Catalog No: AG000VUO MDL No:
Product Description
Catalog Number:
AG000VUO
Chemical Name:
Ethanone, 2-bromo-1-(2-chloro-4-pyrimidinyl)-
CAS Number:
1312815-21-6
Molecular Formula:
C6H4BrClN2O
Molecular Weight:
235.4658
IUPAC Name:
2-bromo-1-(2-chloropyrimidin-4-yl)ethanone
InChI:
InChI=1S/C6H4BrClN2O/c7-3-5(11)4-1-2-9-6(8)10-4/h1-2H,3H2
InChI Key:
DUFKTFHLKPNRCC-UHFFFAOYSA-N
SMILES:
Clc1nc(ccn1)C(=O)CBr
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.92g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.465g/mol
Monoisotopic Mass:
233.92g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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