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Home > Bromides > 2126159-83-7
2126159-83-7 | tert-butyl 6-bromo-2,3,4,5-tetrahydro-1H-azepine-1-carboxylate
CAS No: 2126159-83-7 Catalog No: AG01EM2W MDL No:MFCD31381340
Product Description
Catalog Number:
AG01EM2W
Chemical Name:
tert-butyl 6-bromo-2,3,4,5-tetrahydro-1H-azepine-1-carboxylate
CAS Number:
2126159-83-7
Molecular Formula:
C11H18BrNO2
Molecular Weight:
276.1701
MDL Number:
MFCD31381340
IUPAC Name:
tert-butyl 6-bromo-2,3,4,5-tetrahydroazepine-1-carboxylate
InChI:
InChI=1S/C11H18BrNO2/c1-11(2,3)15-10(14)13-7-5-4-6-9(12)8-13/h8H,4-7H2,1-3H3
InChI Key:
WXBGEQNCPITVRE-UHFFFAOYSA-N
SMILES:
BrC1=CN(CCCC1)C(=O)OC(C)(C)C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.052g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.174g/mol
Monoisotopic Mass:
275.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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