Home Bromides 3913-23-3
3913-23-3,MFCD00007329
Catalog No.:AA003HGK
3913-23-3 | 2-(Bromomethyl)-1-methoxy-4-nitrobenzene
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Technical Information
Catalog Number:
AA003HGK
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
Computed 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  

Synonyms
 
2-methoxy-5-nitrobenzyl bromide 
Koshland's reagent II 
Anisole, 2-(bromomethyl)-4-nitro- 
Koshland Reagent II 
Benzene, 2-(bromomethyl)-1-methoxy-4-nitro- 
EINECS 223-471-6 
BRN 1878596 
JRHMPHMGOGMNDU-UHFFFAOYSA-N 
Toluene, alpha-bromo-2-methoxy-6-nitro- 
Benzene,2-(bromomethyl)-1-methoxy-4-nitro- 
Koshland reagent 2 
MNBB 
3913-23-3 
Koshland reagent number 2 
ACMC-1AE0P 
AC1L2T7V 
AC1Q45CB 
3-06-00-01276 (Beilstein Handbook Reference) 
SCHEMBL922726 
2-methoxy-5-nitro-benzylbromide 
CTK4I0975 
JRHMPHMGOGMNDU-UHFFFAOYSA- 
DTXSID60192379 
2-(Bromomethyl)-1-methoxy-4-nitrobenzene 
2-Methoxy-5-nitro benzyl bromide 
ZINC2567959 
BBL025757 
STL368201 
AKOS005133594 
CB-2009 
MCULE-6165453408 
VZ24103 
2-Methoxy-5-nitrobenzyl bromide, 97% 
2-(Bromomethyl)1-methoxy-4-nitrobenzene 
2-Methoxy-5-nitrobenzyl bromide 
2-Bromomethyl-1-methoxy-4-nitro-benzene 
AJ-41529 
2-(bromomethyl)-1-methoxy-4-nitro-benzene 
DB-006033 
LS-154025 
ST2416164 
TC-170480 
FT-0600724 
ST51037989 
T7783 
2-Bromomethyl-4-nitroanisole 
Toluene, .alpha.-bromo-2-methoxy-6-nitro- 
A824420 
A1-04449 
I01-7598 
Benzene, 2-(bromomethyl)-1-methoxy-4-nitro- (9CI) 
InChI=1/C8H8BrNO3/c1-13-8-3-2-7(10(11)12)4-6(8)5-9/h2-4H,5H2,1H3 
C8H8BrNO3 
C8-H8-Br-N-O3 
CID77516 
Koshland's reagent II 
Koshland Reagent No. 2 
2-Methoxy-5-nitrobenzylbromide 
2-(Bromomethyl)-4-nitroanisole 
Literature

Title: [Comparison of auc values for caffeine and its metabolites after single and repeated administration of 2-methoxy-5-nitrobenzyl bromide].

Journal: Roczniki Panstwowego Zakladu Higieny 20030101

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