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Home > Bromides > 1260494-16-3
1260494-16-3 | Azepino[4,3-b]indole-2(1H)-carboxylic acid, 8-bromo-3,4,5,6-tetrahydro-, 1,1-dimethylethyl ester
CAS No: 1260494-16-3 Catalog No: AG000QTZ MDL No:
Product Description
Catalog Number:
AG000QTZ
Chemical Name:
Azepino[4,3-b]indole-2(1H)-carboxylic acid, 8-bromo-3,4,5,6-tetrahydro-, 1,1-dimethylethyl ester
CAS Number:
1260494-16-3
Molecular Formula:
C17H21BrN2O2
Molecular Weight:
365.2648
IUPAC Name:
tert-butyl 8-bromo-3,4,5,6-tetrahydro-1H-azepino[4,3-b]indole-2-carboxylate
InChI:
InChI=1S/C17H21BrN2O2/c1-17(2,3)22-16(21)20-8-4-5-14-13(10-20)12-7-6-11(18)9-15(12)19-14/h6-7,9,19H,4-5,8,10H2,1-3H3
InChI Key:
VZRDMHIPKHTPBV-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)[nH]c1c2CN(CCC1)C(=O)OC(C)(C)C
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.079g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.271g/mol
Monoisotopic Mass:
364.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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