Home Halogens Benzoic acid, 5-chloro-2-nitro-, ethyl ester

Benzoic acid, 5-chloro-2-nitro-, ethyl ester

CAS No.:
51282-56-5
Catalog Number:
AG00I96R
Molecular Formula:
C9H8ClNO4
Molecular Weight:
229.6171
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Product Description
Catalog Number:
AG00I96R
Chemical Name:
Benzoic acid, 5-chloro-2-nitro-, ethyl ester
CAS Number:
51282-56-5
Molecular Formula:
C9H8ClNO4
Molecular Weight:
229.6171
MDL Number:
MFCD06204330
IUPAC Name:
ethyl 5-chloro-2-nitrobenzoate
InChI:
InChI=1S/C9H8ClNO4/c1-2-15-9(12)7-5-6(10)3-4-8(7)11(13)14/h3-5H,2H2,1H3
InChI Key:
RICLVXMCOVKPRW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1C(=O)OCC)Cl
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.014g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.616g/mol
Monoisotopic Mass:
229.014g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties