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Home > Bromides > 1272756-03-2
1272756-03-2 | Benzoic acid, 4-bromo-2,6-dinitro-, methyl ester
CAS No: 1272756-03-2 Catalog No: AG000WVC MDL No:MFCD18651710
Product Description
Catalog Number:
AG000WVC
Chemical Name:
Benzoic acid, 4-bromo-2,6-dinitro-, methyl ester
CAS Number:
1272756-03-2
Molecular Formula:
C8H5BrN2O6
Molecular Weight:
305.0391
MDL Number:
MFCD18651710
IUPAC Name:
methyl 4-bromo-2,6-dinitrobenzoate
InChI:
InChI=1S/C8H5BrN2O6/c1-17-8(12)7-5(10(13)14)2-4(9)3-6(7)11(15)16/h2-3H,1H3
InChI Key:
XFHBMIBQDDEXIX-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(cc(cc1[N+](=O)[O-])Br)[N+](=O)[O-]
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.933g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.04g/mol
Monoisotopic Mass:
303.933g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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