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1057273-30-9 | Methyl 1-[(3-bromophenyl)methyl]piperidine-4-carboxylate
CAS No: 1057273-30-9 Catalog No: AG01F7EJ MDL No:
Product Description
Catalog Number:
AG01F7EJ
Chemical Name:
Methyl 1-[(3-bromophenyl)methyl]piperidine-4-carboxylate
CAS Number:
1057273-30-9
Molecular Formula:
C14H18BrNO2
Molecular Weight:
312.2022
IUPAC Name:
methyl 1-[(3-bromophenyl)methyl]piperidine-4-carboxylate
InChI:
InChI=1S/C14H18BrNO2/c1-18-14(17)12-5-7-16(8-6-12)10-11-3-2-4-13(15)9-11/h2-4,9,12H,5-8,10H2,1H3
InChI Key:
KRXXWDPGEACKHD-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCN(CC1)Cc1cccc(c1)Br
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.052g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.207g/mol
Monoisotopic Mass:
311.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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