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Home Nitros 2-Bromo-5-methyl-4-nitroanisole

2-Bromo-5-methyl-4-nitroanisole

CAS No.:
861076-28-0
Catalog Number:
AG00IDWP
Molecular Formula:
C8H8BrNO3
Molecular Weight:
246.0580
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$219
- +
1g
97%
1 week
United States
$239
- +
Product Description
Catalog Number:
AG00IDWP
Chemical Name:
2-Bromo-5-methyl-4-nitroanisole
CAS Number:
861076-28-0
Molecular Formula:
C8H8BrNO3
Molecular Weight:
246.0580
MDL Number:
MFCD11007872
IUPAC Name:
1-bromo-2-methoxy-4-methyl-5-nitrobenzene
InChI:
InChI=1S/C8H8BrNO3/c1-5-3-8(13-2)6(9)4-7(5)10(11)12/h3-4H,1-2H3
InChI Key:
RJFNPONWQGCABQ-UHFFFAOYSA-N
SMILES:
COc1cc(C)c(cc1Br)[N+](=O)[O-]
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