Home Halogens 2-Carboxy-5-chloro-4-nitrotoluene

2-Carboxy-5-chloro-4-nitrotoluene

CAS No.:
476660-41-0
Catalog Number:
AG00DD8V
Molecular Formula:
C8H6ClNO4
Molecular Weight:
215.5905
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$340
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Product Description
Catalog Number:
AG00DD8V
Chemical Name:
2-Carboxy-5-chloro-4-nitrotoluene
CAS Number:
476660-41-0
Molecular Formula:
C8H6ClNO4
Molecular Weight:
215.5905
MDL Number:
MFCD18071079
IUPAC Name:
4-chloro-2-methyl-5-nitrobenzoic acid
InChI:
InChI=1S/C8H6ClNO4/c1-4-2-6(9)7(10(13)14)3-5(4)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key:
KKNSDWSYFJIEKU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C(=O)O)c(cc1Cl)C
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.999g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
215.589g/mol
Monoisotopic Mass:
214.999g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties