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Home > Bromides > 1199556-68-7
1199556-68-7 | Carbamic acid, N-[1-(4-bromophenyl)-3-oxocyclobutyl]-, 1,1-dimethylethyl ester
CAS No: 1199556-68-7 Catalog No: AG000PVX MDL No:MFCD17926307
Product Description
Catalog Number:
AG000PVX
Chemical Name:
Carbamic acid, N-[1-(4-bromophenyl)-3-oxocyclobutyl]-, 1,1-dimethylethyl ester
CAS Number:
1199556-68-7
Molecular Formula:
C15H18BrNO3
Molecular Weight:
340.2123
MDL Number:
MFCD17926307
IUPAC Name:
tert-butyl N-[1-(4-bromophenyl)-3-oxocyclobutyl]carbamate
InChI:
InChI=1S/C15H18BrNO3/c1-14(2,3)20-13(19)17-15(8-12(18)9-15)10-4-6-11(16)7-5-10/h4-7H,8-9H2,1-3H3,(H,17,19)
InChI Key:
YFSAGUKUTJZFQM-UHFFFAOYSA-N
SMILES:
O=C1CC(C1)(NC(=O)OC(C)(C)C)c1ccc(cc1)Br
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.047g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.217g/mol
Monoisotopic Mass:
339.047g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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