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1226033-31-3 | 2-Chloro-N-methyl-N-(4-nitro-benzyl)-acetamide
CAS No: 1226033-31-3 Catalog No: AG01FA0D MDL No:
Product Description
Catalog Number:
AG01FA0D
Chemical Name:
2-Chloro-N-methyl-N-(4-nitro-benzyl)-acetamide
CAS Number:
1226033-31-3
Molecular Formula:
C10H11ClN2O3
Molecular Weight:
242.6589
IUPAC Name:
2-chloro-N-methyl-N-[(4-nitrophenyl)methyl]acetamide
InChI:
InChI=1S/C10H11ClN2O3/c1-12(10(14)6-11)7-8-2-4-9(5-3-8)13(15)16/h2-5H,6-7H2,1H3
InChI Key:
OIYIAIBDDMXEEP-UHFFFAOYSA-N
SMILES:
ClCC(=O)N(Cc1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
259
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:
0
Isotope Atom Count:
0
Molecular Weight:
242.659g/mol
Monoisotopic Mass:
242.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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