Home Other Building Blocks 4-Nitrobenzyl chloride

4-Nitrobenzyl chloride

CAS No.:
100-14-1
Catalog Number:
AG00005U
Molecular Formula:
C7H6ClNO2
Molecular Weight:
171.5810
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG00005U
Chemical Name:
4-Nitrobenzyl chloride
CAS Number:
100-14-1
Molecular Formula:
C7H6ClNO2
Molecular Weight:
171.5810
MDL Number:
MFCD00007374
IUPAC Name:
1-(chloromethyl)-4-nitrobenzene
InChI:
InChI=1S/C7H6ClNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2
InChI Key:
KGCNHWXDPDPSBV-UHFFFAOYSA-N
SMILES:
ClCc1ccc(cc1)[N+](=O)[O-]
EC Number:
202-822-7
UNII:
3BLD9LVT3X
NSC Number:
9803
UN Number:
3261
Properties
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.009g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.58g/mol
Monoisotopic Mass:
171.009g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
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An ensemble of theta class glutathione transferases with novel catalytic properties generated by stochastic recombination of fragments of two mammalian enzymes. Journal of molecular biology 20020419
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Gene structure, expression and chromosomal localization of murine theta class glutathione transferase mGSTT1-1. The Biochemical journal 19990101
Theta, a new class of glutathione transferases purified from rat and man. The Biochemical journal 19910301
The purification and characterization of glutathione S-transferase from the hepatopancreas of the blue crab, Callinectes sapidus. Archives of biochemistry and biophysics 19870601
Properties