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6600-14-2 | METHYL 1-(3-BROMOBENZOYL)PIPERIDINE-4-CARBOXYLATE
CAS No: 6600-14-2 Catalog No: AG006LKU MDL No:
Product Description
Catalog Number:
AG006LKU
Chemical Name:
METHYL 1-(3-BROMOBENZOYL)PIPERIDINE-4-CARBOXYLATE
CAS Number:
6600-14-2
Molecular Formula:
C14H16BrNO3
Molecular Weight:
326.1857
IUPAC Name:
methyl 1-(3-bromobenzoyl)piperidine-4-carboxylate
InChI:
InChI=1S/C14H16BrNO3/c1-19-14(18)10-5-7-16(8-6-10)13(17)11-3-2-4-12(15)9-11/h2-4,9-10H,5-8H2,1H3
InChI Key:
XPZJVCZMZJHDOQ-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCN(CC1)C(=O)c1cccc(c1)Br
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.031g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.19g/mol
Monoisotopic Mass:
325.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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