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1260807-49-5 | 2-Pyridinecarboxylic acid, 3-bromo-, 1,1-dimethylethyl ester
CAS No: 1260807-49-5 Catalog No: AG000RBV MDL No:MFCD09264589
Product Description
Catalog Number:
AG000RBV
Chemical Name:
2-Pyridinecarboxylic acid, 3-bromo-, 1,1-dimethylethyl ester
CAS Number:
1260807-49-5
Molecular Formula:
C10H12BrNO2
Molecular Weight:
258.1118
MDL Number:
MFCD09264589
IUPAC Name:
tert-butyl 3-bromopyridine-2-carboxylate
InChI:
InChI=1S/C10H12BrNO2/c1-10(2,3)14-9(13)8-7(11)5-4-6-12-8/h4-6H,1-3H3
InChI Key:
BQXZWVWSJGWASF-UHFFFAOYSA-N
SMILES:
O=C(c1ncccc1Br)OC(C)(C)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.005g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.115g/mol
Monoisotopic Mass:
257.005g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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