Home Other Building Blocks 4-CHLORO-3-METHYL-5-NITROBENZOIC ACID

4-CHLORO-3-METHYL-5-NITROBENZOIC ACID

CAS No.:
1564530-15-9
Catalog Number:
AG01DVOL
Molecular Formula:
C8H6ClNO4
Molecular Weight:
215.5905
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Product Description
Catalog Number:
AG01DVOL
Chemical Name:
4-CHLORO-3-METHYL-5-NITROBENZOIC ACID
CAS Number:
1564530-15-9
Molecular Formula:
C8H6ClNO4
Molecular Weight:
215.5905
MDL Number:
MFCD26856629
IUPAC Name:
4-chloro-3-methyl-5-nitrobenzoic acid
InChI:
InChI=1S/C8H6ClNO4/c1-4-2-5(8(11)12)3-6(7(4)9)10(13)14/h2-3H,1H3,(H,11,12)
InChI Key:
JFWTVQOCEMERAY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1Cl)C)C(=O)O
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