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147124-32-1 | Propanedioic acid, 2-(4-chloro-2-nitrophenyl)-, 1,3-dimethyl ester
CAS No: 147124-32-1 Catalog No: AG001EMS MDL No:MFCD00179451
Product Description
Catalog Number:
AG001EMS
Chemical Name:
Propanedioic acid, 2-(4-chloro-2-nitrophenyl)-, 1,3-dimethyl ester
CAS Number:
147124-32-1
Molecular Formula:
C11H10ClNO6
Molecular Weight:
287.6532
MDL Number:
MFCD00179451
IUPAC Name:
dimethyl 2-(4-chloro-2-nitrophenyl)propanedioate
InChI:
InChI=1S/C11H10ClNO6/c1-18-10(14)9(11(15)19-2)7-4-3-6(12)5-8(7)13(16)17/h3-5,9H,1-2H3
InChI Key:
XNQGJNNDVKLNQO-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccc(cc1[N+](=O)[O-])Cl)C(=O)OC
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.02g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.652g/mol
Monoisotopic Mass:
287.02g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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