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Home Other Building Blocks 2-Nitrobenzyl bromide

2-Nitrobenzyl bromide

CAS No.:
3958-60-9
Catalog Number:
AG0033EW
Molecular Formula:
C7H6BrNO2
Molecular Weight:
216.0320
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$33
- +
25g
98%
In Stock USA
United States
$35
- +
100g
98%
In Stock USA
United States
$109
- +
500g
98%
In Stock USA
United States
$438
- +
Product Description
Catalog Number:
AG0033EW
Chemical Name:
2-Nitrobenzyl bromide
CAS Number:
3958-60-9
Molecular Formula:
C7H6BrNO2
Molecular Weight:
216.0320
MDL Number:
MFCD00007184
IUPAC Name:
1-(bromomethyl)-2-nitrobenzene
InChI:
InChI=1S/C7H6BrNO2/c8-5-6-3-1-2-4-7(6)9(10)11/h1-4H,5H2
InChI Key:
HXBMIQJOSHZCFX-UHFFFAOYSA-N
SMILES:
BrCc1ccccc1N(=O)=O
EC Number:
223-558-9
NSC Number:
95415
Properties
Complexity:
146  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.958g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.034g/mol
Monoisotopic Mass:
214.958g/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
3-Carbamoyl-1-(2-nitrobenzyl)pyridin-ium bromide. Acta crystallographica. Section E, Structure reports online 20120501
1-(2-Nitro-benz-yl)-1H-pyrrole-2-carbaldehyde. Acta crystallographica. Section E, Structure reports online 20110601
Photocaged variants of the MunI and PvuII restriction enzymes. Biochemistry 20110412
2-(Furan-2-yl)-5-(2-nitro-benz-yl)-2,3-dihydro-1,5-benzothia-zepin-4(5H)-one. Acta crystallographica. Section E, Structure reports online 20110101
Distributed Drug Discovery, Part 2: global rehearsal of alkylating agents for the synthesis of resin-bound unnatural amino acids and virtual D(3) catalog construction. Journal of combinatorial chemistry 20090112
Antibacterial and antifungal activity of acyclic and macrocyclic uracil derivatives with quaternized nitrogen atoms in spacers. European journal of medicinal chemistry 20060901
Properties