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100278-74-8,MFCD19374209
Catalog No.:AA0001DG
100278-74-8 | Phenol, 5-chloro-4-methyl-2-nitro-
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$200.00
- +
5g
98%
in stock  
$800.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0001DG
Chemical Name:
Phenol, 5-chloro-4-methyl-2-nitro-
CAS Number:
100278-74-8
Molecular Formula:
C7H6ClNO3
Molecular Weight:
187.5804
MDL Number:
MFCD19374209
IUPAC Name:
5-chloro-4-methyl-2-nitrophenol
InChI:
InChI=1S/C7H6ClNO3/c1-4-2-6(9(11)12)7(10)3-5(4)8/h2-3,10H,1H3
InChI Key:
SETJTGJUNMPFCU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C)c(cc1O)Cl
Properties
Computed Properties
 
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.004g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
187.579g/mol
Monoisotopic Mass:
187.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

Synonyms
 
5-chloro-4-methyl-2-nitrophenol 
100278-74-8 
AKOS022421402 
DA-16539 
FT-0702865 
Phenol, 5-chloro-4-methyl-2-nitro- 
ACMC-20m3bz 
SCHEMBL304867 
CTK0G8953 
3-chloro-4-methyl-6-nitrophenol 
DTXSID00543861 
SETJTGJUNMPFCU-UHFFFAOYSA-N 
ZINC34089383 
Literature
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