Home Bromides 10172-36-8
10172-36-8,MFCD00094478
Catalog No.:AA00058K
10172-36-8 | 2,3-Dibromo-5-methoxynitrobenzene
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Technical Information
Catalog Number:
AA00058K
Chemical Name:
2,3-Dibromo-5-methoxynitrobenzene
CAS Number:
10172-36-8
Molecular Formula:
C7H5Br2NO3
Molecular Weight:
310.9275
MDL Number:
MFCD00094478
IUPAC Name:
1,2-dibromo-5-methoxy-3-nitrobenzene
InChI:
InChI=1S/C7H5Br2NO3/c1-13-4-2-5(8)7(9)6(3-4)10(11)12/h2-3H,1H3
InChI Key:
PIVVFYZPCVAFMY-UHFFFAOYSA-N
SMILES:
COc1cc(Br)c(c(c1)[N+](=O)[O-])Br
Properties
Computed Properties
 
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.862g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.929g/mol
Monoisotopic Mass:
308.864g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

Synonyms
 
2,3-Dibromo-5-methoxynitrobenzene 
10172-36-8 
MCULE-9651231618 
CID5153886 
1,2-dibromo-5-methoxy-3-nitro-benzene 
Benzene, 1,2-dibromo-5-methoxy-3-nitro- 
1,2-dibromo-5-methoxy-3-nitrobenzene 
AC1NP8D5 
AC1Q47FW 
CTK0D9438 
DTXSID80408944 
ZINC2173621 
AKOS024324728 
Literature
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