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6942-36-5 | Methyl 2-bromo-5-nitrobenzoate
CAS No: 6942-36-5 Catalog No: AG0036LZ MDL No:MFCD00010867
Product Description
Catalog Number:
AG0036LZ
Chemical Name:
Methyl 2-bromo-5-nitrobenzoate
CAS Number:
6942-36-5
Molecular Formula:
C8H6BrNO4
Molecular Weight:
260.0415
MDL Number:
MFCD00010867
IUPAC Name:
methyl 2-bromo-5-nitrobenzoate
InChI:
InChI=1S/C8H6BrNO4/c1-14-8(11)6-4-5(10(12)13)2-3-7(6)9/h2-4H,1H3
InChI Key:
VSEYYEKRZNRECT-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1Br)[N+](=O)[O-]
NSC Number:
57462
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.948g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.043g/mol
Monoisotopic Mass:
258.948g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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