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114741-31-0 | Acetamide, 2-chloro-N-(4,5-dimethyl-2-nitrophenyl)-
CAS No: 114741-31-0 Catalog No: AG000F56 MDL No:
Product Description
Catalog Number:
AG000F56
Chemical Name:
Acetamide, 2-chloro-N-(4,5-dimethyl-2-nitrophenyl)-
CAS Number:
114741-31-0
Molecular Formula:
C10H11ClN2O3
Molecular Weight:
242.6589
IUPAC Name:
2-chloro-N-(4,5-dimethyl-2-nitrophenyl)acetamide
InChI:
InChI=1S/C10H11ClN2O3/c1-6-3-8(12-10(14)5-11)9(13(15)16)4-7(6)2/h3-4H,5H2,1-2H3,(H,12,14)
InChI Key:
ZQKGIBMAJMMPMN-UHFFFAOYSA-N
SMILES:
ClCC(=O)Nc1cc(C)c(cc1[N+](=O)[O-])C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.659g/mol
Monoisotopic Mass:
242.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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