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Home > Bromides > 1233958-21-8
1233958-21-8 | tert-Butyl 4-[3-(3-bromophenyl)ureido]piperidine-1-carboxylate
CAS No: 1233958-21-8 Catalog No: AG01F651 MDL No:
Product Description
Catalog Number:
AG01F651
Chemical Name:
tert-Butyl 4-[3-(3-bromophenyl)ureido]piperidine-1-carboxylate
CAS Number:
1233958-21-8
Molecular Formula:
C17H24BrN3O3
Molecular Weight:
398.2948
IUPAC Name:
tert-butyl 4-[(3-bromophenyl)carbamoylamino]piperidine-1-carboxylate
InChI:
InChI=1S/C17H24BrN3O3/c1-17(2,3)24-16(23)21-9-7-13(8-10-21)19-15(22)20-14-6-4-5-12(18)11-14/h4-6,11,13H,7-10H2,1-3H3,(H2,19,20,22)
InChI Key:
XIFSRNGPIOLBNU-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)Br)NC1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.1g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
398.301g/mol
Monoisotopic Mass:
397.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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