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1622840-55-4 | 1(2H)-Pyridinecarboxylic acid, 5-bromo-3,4-dihydro-, 1,1-dimethylethyl ester
CAS No: 1622840-55-4 Catalog No: AG001SY8 MDL No:MFCD28054690
Product Description
Catalog Number:
AG001SY8
Chemical Name:
1(2H)-Pyridinecarboxylic acid, 5-bromo-3,4-dihydro-, 1,1-dimethylethyl ester
CAS Number:
1622840-55-4
Molecular Formula:
C10H16BrNO2
Molecular Weight:
262.1435
MDL Number:
MFCD28054690
IUPAC Name:
tert-butyl 5-bromo-3,4-dihydro-2H-pyridine-1-carboxylate
InChI:
InChI=1S/C10H16BrNO2/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h7H,4-6H2,1-3H3
InChI Key:
IMDIJYNDIARCKQ-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(=C1)Br)OC(C)(C)C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.036g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.147g/mol
Monoisotopic Mass:
261.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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