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201809-32-7 | Pyrazino[1,2-a]indole, 8-bromo-1,2,3,4-tetrahydro-
CAS No: 201809-32-7 Catalog No: AG0027V1 MDL No:
Product Description
Catalog Number:
AG0027V1
Chemical Name:
Pyrazino[1,2-a]indole, 8-bromo-1,2,3,4-tetrahydro-
CAS Number:
201809-32-7
Molecular Formula:
C11H11BrN2
Molecular Weight:
251.1224
IUPAC Name:
8-bromo-1,2,3,4-tetrahydropyrazino[1,2-a]indole
InChI:
InChI=1S/C11H11BrN2/c12-9-1-2-11-8(5-9)6-10-7-13-3-4-14(10)11/h1-2,5-6,13H,3-4,7H2
InChI Key:
SDCVUXHJFYMBOX-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)cc1n2CCNC1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.011g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.127g/mol
Monoisotopic Mass:
250.011g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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