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180695-79-8 | 1-Piperidinecarboxylic acid, 4-bromo-, 1,1-dimethylethyl ester
CAS No: 180695-79-8 Catalog No: AG00228C MDL No:MFCD04115039
Product Description
Catalog Number:
AG00228C
Chemical Name:
1-Piperidinecarboxylic acid, 4-bromo-, 1,1-dimethylethyl ester
CAS Number:
180695-79-8
Molecular Formula:
C10H18BrNO2
Molecular Weight:
264.1594
MDL Number:
MFCD04115039
IUPAC Name:
tert-butyl 4-bromopiperidine-1-carboxylate
InChI:
InChI=1S/C10H18BrNO2/c1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h8H,4-7H2,1-3H3
InChI Key:
KZBWIYHDNQHMET-UHFFFAOYSA-N
SMILES:
BrC1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.052g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.163g/mol
Monoisotopic Mass:
263.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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