Home Nitros 2-Chloro-4-methoxy-5-nitro-benzoic acid methyl ester

2-Chloro-4-methoxy-5-nitro-benzoic acid methyl ester

CAS No.:
90537-46-5
Catalog Number:
AG00IG6N
Molecular Formula:
C9H8ClNO5
Molecular Weight:
245.6165
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$113
- +
1g
98%
In Stock USA
United States
$269
- +
5g
98%
In Stock USA
United States
$969
- +
10g
98%
In Stock USA
United States
$1494
- +
Product Description
Catalog Number:
AG00IG6N
Chemical Name:
2-Chloro-4-methoxy-5-nitro-benzoic acid methyl ester
CAS Number:
90537-46-5
Molecular Formula:
C9H8ClNO5
Molecular Weight:
245.6165
MDL Number:
MFCD26396226
IUPAC Name:
methyl 2-chloro-4-methoxy-5-nitrobenzoate
InChI:
InChI=1S/C9H8ClNO5/c1-15-8-4-6(10)5(9(12)16-2)3-7(8)11(13)14/h3-4H,1-2H3
InChI Key:
CTRKTHJHCFTDHI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc([N+](=O)[O-])c(cc1Cl)OC
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.009g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.615g/mol
Monoisotopic Mass:
245.009g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties