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1312535-78-6 | Ethanone, 1-(2-chloro-4-pyrimidinyl)-
CAS No: 1312535-78-6 Catalog No: AG000VSO MDL No:MFCD22543973
Product Description
Catalog Number:
AG000VSO
Chemical Name:
Ethanone, 1-(2-chloro-4-pyrimidinyl)-
CAS Number:
1312535-78-6
Molecular Formula:
C6H5ClN2O
Molecular Weight:
156.5697
MDL Number:
MFCD22543973
IUPAC Name:
1-(2-chloropyrimidin-4-yl)ethanone
InChI:
InChI=1S/C6H5ClN2O/c1-4(10)5-2-3-8-6(7)9-5/h2-3H,1H3
InChI Key:
ITCRDUUQMVEFAV-UHFFFAOYSA-N
SMILES:
Clc1nccc(n1)C(=O)C
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.009g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.569g/mol
Monoisotopic Mass:
156.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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