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80093-43-2 | 1-(4-CHLORO-3-NITROPHENYL)PROPAN-1-ONE
CAS No: 80093-43-2 Catalog No: AG005587 MDL No:MFCD08437181
Product Description
Catalog Number:
AG005587
Chemical Name:
1-(4-CHLORO-3-NITROPHENYL)PROPAN-1-ONE
CAS Number:
80093-43-2
Molecular Formula:
C9H8ClNO3
Molecular Weight:
213.6177
MDL Number:
MFCD08437181
IUPAC Name:
1-(4-chloro-3-nitrophenyl)propan-1-one
InChI:
InChI=1S/C9H8ClNO3/c1-2-9(12)6-3-4-7(10)8(5-6)11(13)14/h3-5H,2H2,1H3
InChI Key:
OGEKZGZVHGKFGG-UHFFFAOYSA-N
SMILES:
CCC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.019g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.617g/mol
Monoisotopic Mass:
213.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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