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30880-73-0 | Benzoic acid, 2-[(2-chloro-4-nitrophenoxy)methyl]-, ethyl ester
CAS No: 30880-73-0 Catalog No: AG0031KU MDL No:
Product Description
Catalog Number:
AG0031KU
Chemical Name:
Benzoic acid, 2-[(2-chloro-4-nitrophenoxy)methyl]-, ethyl ester
CAS Number:
30880-73-0
Molecular Formula:
C16H14ClNO5
Molecular Weight:
335.7391
IUPAC Name:
ethyl 2-[(2-chloro-4-nitrophenoxy)methyl]benzoate
InChI:
InChI=1S/C16H14ClNO5/c1-2-22-16(19)13-6-4-3-5-11(13)10-23-15-8-7-12(18(20)21)9-14(15)17/h3-9H,2,10H2,1H3
InChI Key:
UDQMOOCVHVNYNK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccccc1COc1ccc(cc1Cl)[N+](=O)[O-]
NSC Number:
212191
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.056g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.74g/mol
Monoisotopic Mass:
335.056g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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