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116686-84-1 | Ethanone, 1-(3-chloro-4-nitrophenyl)-
CAS No: 116686-84-1 Catalog No: AG000CZV MDL No:MFCD22494926
Product Description
Catalog Number:
AG000CZV
Chemical Name:
Ethanone, 1-(3-chloro-4-nitrophenyl)-
CAS Number:
116686-84-1
Molecular Formula:
C8H6ClNO3
Molecular Weight:
199.5911
MDL Number:
MFCD22494926
IUPAC Name:
1-(3-chloro-4-nitrophenyl)ethanone
InChI:
InChI=1S/C8H6ClNO3/c1-5(11)6-2-3-8(10(12)13)7(9)4-6/h2-4H,1H3
InChI Key:
GLWASYDLRWSDQJ-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(c(c1)Cl)[N+](=O)[O-]
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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