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Home > Bromides > 1199557-05-5
1199557-05-5 | Carbamic acid, N-[2-(4-bromophenyl)-5,8-dioxaspiro[3.4]oct-2-yl]-, 1,1-dimethylethyl ester
CAS No: 1199557-05-5 Catalog No: AG000PVR MDL No:MFCD21648238
Product Description
Catalog Number:
AG000PVR
Chemical Name:
Carbamic acid, N-[2-(4-bromophenyl)-5,8-dioxaspiro[3.4]oct-2-yl]-, 1,1-dimethylethyl ester
CAS Number:
1199557-05-5
Molecular Formula:
C17H22BrNO4
Molecular Weight:
384.2649
MDL Number:
MFCD21648238
IUPAC Name:
tert-butyl N-[2-(4-bromophenyl)-5,8-dioxaspiro[3.4]octan-2-yl]carbamate
InChI:
InChI=1S/C17H22BrNO4/c1-15(2,3)23-14(20)19-16(12-4-6-13(18)7-5-12)10-17(11-16)21-8-9-22-17/h4-7H,8-11H2,1-3H3,(H,19,20)
InChI Key:
LYIRVIKBEJEIMX-UHFFFAOYSA-N
SMILES:
O=C(NC1(CC2(C1)OCCO2)c1ccc(cc1)Br)OC(C)(C)C
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.073g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
384.27g/mol
Monoisotopic Mass:
383.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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