Home Nitros 2-Bromo-1-methoxy-4-methyl-3-nitrobenzene

2-Bromo-1-methoxy-4-methyl-3-nitrobenzene

CAS No.:
860734-28-7
Catalog Number:
AG004P90
Molecular Formula:
C8H8BrNO3
Molecular Weight:
246.0580
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Product Description
Catalog Number:
AG004P90
Chemical Name:
2-Bromo-1-methoxy-4-methyl-3-nitrobenzene
CAS Number:
860734-28-7
Molecular Formula:
C8H8BrNO3
Molecular Weight:
246.0580
MDL Number:
MFCD22494929
IUPAC Name:
2-bromo-1-methoxy-4-methyl-3-nitrobenzene
InChI:
InChI=1S/C8H8BrNO3/c1-5-3-4-6(13-2)7(9)8(5)10(11)12/h3-4H,1-2H3
InChI Key:
RVMCUIFFXJLYHP-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1Br)[N+](=O)[O-])C
Properties
Complexity:
194  
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:
1  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties