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20660-73-5 | Pyridine, 2-(bromomethyl)-3-nitro-
CAS No: 20660-73-5 Catalog No: AG002ILQ MDL No:
Product Description
Catalog Number:
AG002ILQ
Chemical Name:
Pyridine, 2-(bromomethyl)-3-nitro-
CAS Number:
20660-73-5
Molecular Formula:
C6H5BrN2O2
Molecular Weight:
217.0201
IUPAC Name:
2-(bromomethyl)-3-nitropyridine
InChI:
InChI=1S/C6H5BrN2O2/c7-4-5-6(9(10)11)2-1-3-8-5/h1-3H,4H2
InChI Key:
BGXQFAXHRDFUEX-UHFFFAOYSA-N
SMILES:
BrCc1ncccc1[N+](=O)[O-]
Properties
Complexity:
148
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:
1
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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