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23056-49-7 | 4-BROMO-2-METHYL-3-NITRO-PYRIDINE
CAS No: 23056-49-7 Catalog No: AG002M1O MDL No:
Product Description
Catalog Number:
AG002M1O
Chemical Name:
4-BROMO-2-METHYL-3-NITRO-PYRIDINE
CAS Number:
23056-49-7
Molecular Formula:
C6H5BrN2O2
Molecular Weight:
217.0201
IUPAC Name:
4-bromo-2-methyl-3-nitropyridine
InChI:
InChI=1S/C6H5BrN2O2/c1-4-6(9(10)11)5(7)2-3-8-4/h2-3H,1H3
InChI Key:
HLWBVEFKUQEPPM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(Br)ccnc1C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.953g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.022g/mol
Monoisotopic Mass:
215.953g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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