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127356-40-5 | Ethanone, 1-(6-chloro-5-nitro-3-pyridinyl)-
CAS No: 127356-40-5 Catalog No: AG000WXM MDL No:MFCD10697701
Product Description
Catalog Number:
AG000WXM
Chemical Name:
Ethanone, 1-(6-chloro-5-nitro-3-pyridinyl)-
CAS Number:
127356-40-5
Molecular Formula:
C7H5ClN2O3
Molecular Weight:
200.5792
MDL Number:
MFCD10697701
IUPAC Name:
1-(6-chloro-5-nitropyridin-3-yl)ethanone
InChI:
InChI=1S/C7H5ClN2O3/c1-4(11)5-2-6(10(12)13)7(8)9-3-5/h2-3H,1H3
InChI Key:
UZUVOPNXKQOJKI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cnc1Cl)C(=O)C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.999g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.578g/mol
Monoisotopic Mass:
199.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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