Home Halogens 8-bromo-1H,2H,3H,4H,5H-pyrido[4,3-b]indole hydrochloride

8-bromo-1H,2H,3H,4H,5H-pyrido[4,3-b]indole hydrochloride

CAS No.:
1330568-85-8
Catalog Number:
AG01B5C4
Molecular Formula:
C11H12BrClN2
Molecular Weight:
287.5834
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Product Description
Catalog Number:
AG01B5C4
Chemical Name:
8-bromo-1H,2H,3H,4H,5H-pyrido[4,3-b]indole hydrochloride
CAS Number:
1330568-85-8
Molecular Formula:
C11H12BrClN2
Molecular Weight:
287.5834
MDL Number:
MFCD30181032
IUPAC Name:
8-bromo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride
InChI:
InChI=1S/C11H11BrN2.ClH/c12-7-1-2-10-8(5-7)9-6-13-4-3-11(9)14-10;/h1-2,5,13-14H,3-4,6H2;1H
InChI Key:
OUMJGJGQWVHCBR-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c1CNCCc1[nH]2.Cl
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.987g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
287.585g/mol
Monoisotopic Mass:
285.987g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties