Home Nitros Methyl 6-broMo-5-nitronicotinate

Methyl 6-broMo-5-nitronicotinate

CAS No.:
1211519-89-9
Catalog Number:
AG008Z12
Molecular Formula:
C7H5BrN2O4
Molecular Weight:
261.0296
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Product Description
Catalog Number:
AG008Z12
Chemical Name:
Methyl 6-broMo-5-nitronicotinate
CAS Number:
1211519-89-9
Molecular Formula:
C7H5BrN2O4
Molecular Weight:
261.0296
MDL Number:
MFCD18257551
IUPAC Name:
methyl 6-bromo-5-nitropyridine-3-carboxylate
InChI:
InChI=1S/C7H5BrN2O4/c1-14-7(11)4-2-5(10(12)13)6(8)9-3-4/h2-3H,1H3
InChI Key:
DBBBELCPCXHASZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cnc1Br)C(=O)OC
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.943g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.031g/mol
Monoisotopic Mass:
259.943g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties