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263270-02-6 | 3-Pyridinecarboxylic acid, 5-bromo-, 1,1-dimethylethyl ester
CAS No: 263270-02-6 Catalog No: AG002SR5 MDL No:MFCD07367903
Product Description
Catalog Number:
AG002SR5
Chemical Name:
3-Pyridinecarboxylic acid, 5-bromo-, 1,1-dimethylethyl ester
CAS Number:
263270-02-6
Molecular Formula:
C10H12BrNO2
Molecular Weight:
258.1118
MDL Number:
MFCD07367903
IUPAC Name:
tert-butyl 5-bromopyridine-3-carboxylate
InChI:
InChI=1S/C10H12BrNO2/c1-10(2,3)14-9(13)7-4-8(11)6-12-5-7/h4-6H,1-3H3
InChI Key:
DINKXUCRJBUQAZ-UHFFFAOYSA-N
SMILES:
Brc1cncc(c1)C(=O)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:
2.4
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