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25941-83-7 | 1H-Indeno[2,1-c]pyridine, 2,3,4,4a,9,9a-hexahydro-2-methyl-9-phenyl-, hydrobromide (1:1)
CAS No: 25941-83-7 Catalog No: AG002R5E MDL No:
Product Description
Catalog Number:
AG002R5E
Chemical Name:
1H-Indeno[2,1-c]pyridine, 2,3,4,4a,9,9a-hexahydro-2-methyl-9-phenyl-, hydrobromide (1:1)
CAS Number:
25941-83-7
Molecular Formula:
C19H22BrN
Molecular Weight:
344.2887
IUPAC Name:
2-methyl-9-phenyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine;hydrobromide
InChI:
InChI=1S/C19H21N.BrH/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14;/h2-10,16,18-19H,11-13H2,1H3;1H
InChI Key:
LMTGROATWQHDQM-UHFFFAOYSA-N
SMILES:
CN1CCC2C(C1)C(c1ccccc1)c1c2cccc1.Br
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.094g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.296g/mol
Monoisotopic Mass:
343.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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