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Home Nitros 4-Chloro-6-nitro-m-cresol

4-Chloro-6-nitro-m-cresol

CAS No.:
7147-89-9
Catalog Number:
AG003L5W
Molecular Formula:
C7H6ClNO3
Molecular Weight:
187.5804
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$66
- +
5g
97%
1 week
United States
$128
- +
25g
>98.0%(GC)
1 week
United States
$581
- +
Product Description
Catalog Number:
AG003L5W
Chemical Name:
4-Chloro-6-nitro-m-cresol
CAS Number:
7147-89-9
Molecular Formula:
C7H6ClNO3
Molecular Weight:
187.5804
MDL Number:
MFCD00007114
IUPAC Name:
4-chloro-5-methyl-2-nitrophenol
InChI:
InChI=1S/C7H6ClNO3/c1-4-2-7(10)6(9(11)12)3-5(4)8/h2-3,10H,1H3
InChI Key:
JBMGJOKJUYGIJH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Cl)c(cc1O)C
EC Number:
230-461-5
NSC Number:
28451
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  
Literature
Title Journal
Mutagenic activities of a chlorination by-product of butamifos, its structural isomer, and their related compounds. Chemosphere 20100101
Properties