Home Nitros 3-Bromo-4-methyl-5-nitrobenzoic acid methyl ester

3-Bromo-4-methyl-5-nitrobenzoic acid methyl ester

CAS No.:
223519-08-2
Catalog Number:
AG00BE2B
Molecular Formula:
C9H8BrNO4
Molecular Weight:
274.0681
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$100
- +
1g
97%
In Stock USA
United States
$250
- +
5g
95%
In Stock USA
United States
$592
- +
Product Description
Catalog Number:
AG00BE2B
Chemical Name:
3-Bromo-4-methyl-5-nitrobenzoic acid methyl ester
CAS Number:
223519-08-2
Molecular Formula:
C9H8BrNO4
Molecular Weight:
274.0681
MDL Number:
MFCD07367995
IUPAC Name:
methyl 3-bromo-4-methyl-5-nitrobenzoate
InChI:
InChI=1S/C9H8BrNO4/c1-5-7(10)3-6(9(12)15-2)4-8(5)11(13)14/h3-4H,1-2H3
InChI Key:
NKUYYWCQLGHYLF-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)c(c(c1)[N+](=O)[O-])C
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.964g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.07g/mol
Monoisotopic Mass:
272.964g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties