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220514-28-3 | Methyl 5-bromo-2-methyl-3-nitrobenzoate
CAS No: 220514-28-3 Catalog No: AG003MHN MDL No:MFCD07781280
Product Description
Catalog Number:
AG003MHN
Chemical Name:
Methyl 5-bromo-2-methyl-3-nitrobenzoate
CAS Number:
220514-28-3
Molecular Formula:
C9H8BrNO4
Molecular Weight:
274.0681
MDL Number:
MFCD07781280
IUPAC Name:
methyl 5-bromo-2-methyl-3-nitrobenzoate
InChI:
InChI=1S/C9H8BrNO4/c1-5-7(9(12)15-2)3-6(10)4-8(5)11(13)14/h3-4H,1-2H3
InChI Key:
UPBDNPCJIJAMPI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)cc(c1C)[N+](=O)[O-]
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
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