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1245563-09-0 | Propanedioic acid, 2-(5-bromo-3-nitro-2-pyridinyl)-, 1,3-dimethyl ester
CAS No: 1245563-09-0 Catalog No: AG000M6O MDL No:MFCD17015848
Product Description
Catalog Number:
AG000M6O
Chemical Name:
Propanedioic acid, 2-(5-bromo-3-nitro-2-pyridinyl)-, 1,3-dimethyl ester
CAS Number:
1245563-09-0
Molecular Formula:
C10H9BrN2O6
Molecular Weight:
333.0923
MDL Number:
MFCD17015848
IUPAC Name:
dimethyl 2-(5-bromo-3-nitropyridin-2-yl)propanedioate
InChI:
InChI=1S/C10H9BrN2O6/c1-18-9(14)7(10(15)19-2)8-6(13(16)17)3-5(11)4-12-8/h3-4,7H,1-2H3
InChI Key:
HIDYAPIMWAPXGK-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ncc(cc1[N+](=O)[O-])Br)C(=O)OC
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.964g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.094g/mol
Monoisotopic Mass:
331.964g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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