Home Halogens 6-bromo-9-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine

6-bromo-9-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine

CAS No.:
1211529-92-8
Catalog Number:
AG01A1WR
Molecular Formula:
C11H14BrNO
Molecular Weight:
256.1390
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Product Description
Catalog Number:
AG01A1WR
Chemical Name:
6-bromo-9-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine
CAS Number:
1211529-92-8
Molecular Formula:
C11H14BrNO
Molecular Weight:
256.1390
MDL Number:
MFCD19687793
IUPAC Name:
6-bromo-9-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine
InChI:
InChI=1S/C11H14BrNO/c1-14-11-3-2-10(12)8-4-6-13-7-5-9(8)11/h2-3,13H,4-7H2,1H3
InChI Key:
DXFYTAUJZQOFJB-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1CCNCC2)Br
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.026g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
256.143g/mol
Monoisotopic Mass:
255.026g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties