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117054-76-9 | Benzamide, 2-chloro-3-nitro-
CAS No: 117054-76-9 Catalog No: AG000DNE MDL No:MFCD00482025
Product Description
Catalog Number:
AG000DNE
Chemical Name:
Benzamide, 2-chloro-3-nitro-
CAS Number:
117054-76-9
Molecular Formula:
C7H5ClN2O3
Molecular Weight:
200.5792
MDL Number:
MFCD00482025
IUPAC Name:
2-chloro-3-nitrobenzamide
InChI:
InChI=1S/C7H5ClN2O3/c8-6-4(7(9)11)2-1-3-5(6)10(12)13/h1-3H,(H2,9,11)
InChI Key:
YKTHIYUTPYYKGA-UHFFFAOYSA-N
SMILES:
NC(=O)c1cccc(c1Cl)[N+](=O)[O-]
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:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.578g/mol
Monoisotopic Mass:
199.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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