sales@angenesci.com
Login | Register
logo
Structures Search
Home Nitros 2-(Bromomethyl)-1-methoxy-4-nitrobenzene

2-(Bromomethyl)-1-methoxy-4-nitrobenzene

CAS No.:
3913-23-3
Catalog Number:
AG003HJC
Molecular Formula:
C8H8BrNO3
Molecular Weight:
246.0580
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG003HJC
Chemical Name:
2-(Bromomethyl)-1-methoxy-4-nitrobenzene
CAS Number:
3913-23-3
Molecular Formula:
C8H8BrNO3
Molecular Weight:
246.0580
MDL Number:
MFCD00007329
IUPAC Name:
2-(bromomethyl)-1-methoxy-4-nitrobenzene
InChI:
InChI=1S/C8H8BrNO3/c1-13-8-3-2-7(10(11)12)4-6(8)5-9/h2-4H,5H2,1H3
InChI Key:
JRHMPHMGOGMNDU-UHFFFAOYSA-N
SMILES:
BrCc1cc(ccc1OC)[N+](=O)[O-]
EC Number:
223-471-6
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.969g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.06g/mol
Monoisotopic Mass:
244.969g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
[Comparison of auc values for caffeine and its metabolites after single and repeated administration of 2-methoxy-5-nitrobenzyl bromide]. Roczniki Panstwowego Zakladu Higieny 20030101
Properties