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Home Nitros 3-Methyl-4-nitrobenzyl bromide

3-Methyl-4-nitrobenzyl bromide

CAS No.:
141281-38-1
Catalog Number:
AG003JQ5
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$50
- +
25g
98%
In Stock USA
United States
$200
- +
100g
98%
In Stock USA
United States
$744
- +
Product Description
Catalog Number:
AG003JQ5
Chemical Name:
3-Methyl-4-nitrobenzyl bromide
CAS Number:
141281-38-1
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
MDL Number:
MFCD04039920
IUPAC Name:
4-(bromomethyl)-2-methyl-1-nitrobenzene
InChI:
InChI=1S/C8H8BrNO2/c1-6-4-7(5-9)2-3-8(6)10(11)12/h2-4H,5H2,1H3
InChI Key:
WOUWGCLQOJPWHS-UHFFFAOYSA-N
SMILES:
BrCc1ccc(c(c1)C)[N+](=O)[O-]
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.974g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.061g/mol
Monoisotopic Mass:
228.974g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
2-Methyl-5-[(3-methyl-4-nitro-benz-yl)sulfan-yl]-1,3,4-thia-diazole. Acta crystallographica. Section E, Structure reports online 20110101
Properties