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Home > Bromides > 1414958-70-5
1414958-70-5 | Carbamic acid, N-(6-bromo-2,3-dihydro-1H-inden-1-yl)-, 1,1-dimethylethyl ester
CAS No: 1414958-70-5 Catalog No: AG001GH4 MDL No:MFCD22689219
Product Description
Catalog Number:
AG001GH4
Chemical Name:
Carbamic acid, N-(6-bromo-2,3-dihydro-1H-inden-1-yl)-, 1,1-dimethylethyl ester
CAS Number:
1414958-70-5
Molecular Formula:
C14H18BrNO2
Molecular Weight:
312.2022
MDL Number:
MFCD22689219
IUPAC Name:
tert-butyl N-(6-bromo-2,3-dihydro-1H-inden-1-yl)carbamate
InChI:
InChI=1S/C14H18BrNO2/c1-14(2,3)18-13(17)16-12-7-5-9-4-6-10(15)8-11(9)12/h4,6,8,12H,5,7H2,1-3H3,(H,16,17)
InChI Key:
YZEZLDIZHPBHGQ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCc2c1cc(Br)cc2
Properties
Complexity:
313
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.207g/mol
Monoisotopic Mass:
311.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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