Home Bromides 100959-22-6
100959-22-6,MFCD07779271
Catalog No.:AA00037U
100959-22-6 | Methyl 2-bromo-4-nitrobenzoate
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
96%
in stock  
$14.00   $10.00
- +
5g
96%
in stock  
$33.00   $23.00
- +
25g
96%
in stock  
$108.00   $75.00
- +
100g
96%
in stock  
$412.00   $289.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA00037U
Chemical Name:
Methyl 2-bromo-4-nitrobenzoate
CAS Number:
100959-22-6
Molecular Formula:
C8H6BrNO4
Molecular Weight:
260.0415
MDL Number:
MFCD07779271
IUPAC Name:
methyl 2-bromo-4-nitrobenzoate
InChI:
InChI=1S/C8H6BrNO4/c1-14-8(11)6-3-2-5(10(12)13)4-7(6)9/h2-4H,1H3
InChI Key:
XYMZAFDNPJLOTP-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1Br)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.948g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.043g/mol
Monoisotopic Mass:
258.948g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Synonyms
 
Methyl 2-bromo-4-nitrobenzoate 
100959-22-6 
SCHEMBL2721981 
Methyl 4-nitro-2-bromobenzoate 
CTK3J8307 
DTXSID30578722 
XYMZAFDNPJLOTP-UHFFFAOYSA-N 
ZERENEX E/1081546 
BCP26480 
CS-D1683 
ANW-14401 
CL9080 
METHYL-2-BROMO-4-NITROBENZOATE 
CM-378 
GEO-03933 
MFCD07779271 
SBB068812 
STL255756 
ZINC12471065 
AKOS015852354 
FR-2343 
LS11612 
MCULE-4755636107 
2-Bromo-4-nitrobenzoic Acid Methyl Ester 
RTC-020874 
TRA0052094 
VZ32529 
KS-00000M93 
AJ-62289 
AK-45318 
AN-34386 
AS-11326 
BC003580 
BC682431 
methyl 2-bromo-4-nitro-benzoate 
CJ-14066 
SY029625 
AB0009667 
DB-007650 
TC-020874 
FT-0600646 
M2123 
ST24047687 
TL80073958 
MFCD07779271 (98%) 
Benzoic acid, 2-bromo-4-nitro-, methyl ester 
A-4095 
959M226 
J-000289 
S01-0285 
C8H6BrNO4 
A15052 
2510-36-3 
3-Bromo-4-(methoxycarbonyl)nitrobenzene 
2-bromo-4-nitro-benzoic acid methyl ester 
PubChem11098 
ACMC-1CUL8 
Literature
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