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81010-24-4 | 1-Piperidinecarboxylicacid, 4-(4-bromophenyl)-4-hydroxy-, ethyl ester
CAS No: 81010-24-4 Catalog No: AG005HIU MDL No:
Product Description
Catalog Number:
AG005HIU
Chemical Name:
1-Piperidinecarboxylicacid, 4-(4-bromophenyl)-4-hydroxy-, ethyl ester
CAS Number:
81010-24-4
Molecular Formula:
C14H18BrNO3
Molecular Weight:
328.2016
IUPAC Name:
ethyl 4-(4-bromophenyl)-4-hydroxypiperidine-1-carboxylate
InChI:
InChI=1S/C14H18BrNO3/c1-2-19-13(17)16-9-7-14(18,8-10-16)11-3-5-12(15)6-4-11/h3-6,18H,2,7-10H2,1H3
InChI Key:
ZHNGYEXRMKGVBY-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCC(CC1)(O)c1ccc(cc1)Br
EC Number:
279-654-6
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.047g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.206g/mol
Monoisotopic Mass:
327.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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