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140861-43-4 | Benzoic acid, 2-(4-chloro-3-nitrobenzoyl)-, propyl ester
CAS No: 140861-43-4 Catalog No: AG001CXE MDL No:
Product Description
Catalog Number:
AG001CXE
Chemical Name:
Benzoic acid, 2-(4-chloro-3-nitrobenzoyl)-, propyl ester
CAS Number:
140861-43-4
Molecular Formula:
C17H14ClNO5
Molecular Weight:
347.7498
IUPAC Name:
propyl 2-(4-chloro-3-nitrobenzoyl)benzoate
InChI:
InChI=1S/C17H14ClNO5/c1-2-9-24-17(21)13-6-4-3-5-12(13)16(20)11-7-8-14(18)15(10-11)19(22)23/h3-8,10H,2,9H2,1H3
InChI Key:
FZWAEVWZZPAIRX-UHFFFAOYSA-N
SMILES:
CCCOC(=O)c1ccccc1C(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.056g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.751g/mol
Monoisotopic Mass:
347.056g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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