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20895-90-3 | Ethanone, 1-(2-chloro-6-nitrophenyl)-
CAS No: 20895-90-3 Catalog No: AG002JZL MDL No:MFCD22124953
Product Description
Catalog Number:
AG002JZL
Chemical Name:
Ethanone, 1-(2-chloro-6-nitrophenyl)-
CAS Number:
20895-90-3
Molecular Formula:
C8H6ClNO3
Molecular Weight:
199.5911
MDL Number:
MFCD22124953
IUPAC Name:
1-(2-chloro-6-nitrophenyl)ethanone
InChI:
InChI=1S/C8H6ClNO3/c1-5(11)8-6(9)3-2-4-7(8)10(12)13/h2-4H,1H3
InChI Key:
DMKAVNKNXDGXHS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1C(=O)C)Cl
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.004g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.59g/mol
Monoisotopic Mass:
199.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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