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1542457-04-4

1542457-04-4 | 7-BROMO-1H,2H,3H,3AH,4H,5H-PYRROLO[1,2-A]QUINOXALINE

CAS No: 1542457-04-4 Catalog No: AG01EL6R MDL No:MFCD23851457

Product Description

Catalog Number:
AG01EL6R
Chemical Name:
7-BROMO-1H,2H,3H,3AH,4H,5H-PYRROLO[1,2-A]QUINOXALINE
CAS Number:
1542457-04-4
Molecular Formula:
C11H13BrN2
Molecular Weight:
253.1383
MDL Number:
MFCD23851457
IUPAC Name:
7-bromo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
InChI:
InChI=1S/C11H13BrN2/c12-8-3-4-11-10(6-8)13-7-9-2-1-5-14(9)11/h3-4,6,9,13H,1-2,5,7H2
InChI Key:
BIFDYVJBZHGOEA-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)NCC1N2CCC1

Properties

Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.026g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
253.143g/mol
Monoisotopic Mass:
252.026g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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