Home Halogens 7-bromo-2,3,4,5-tetrahydro-1-benzothiepin-5-amine hydrochloride

7-bromo-2,3,4,5-tetrahydro-1-benzothiepin-5-amine hydrochloride

CAS No.:
2044713-75-7
Catalog Number:
AG01BVHR
Molecular Formula:
C10H13BrClNS
Molecular Weight:
294.6389
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Product Description
Catalog Number:
AG01BVHR
Chemical Name:
7-bromo-2,3,4,5-tetrahydro-1-benzothiepin-5-amine hydrochloride
CAS Number:
2044713-75-7
Molecular Formula:
C10H13BrClNS
Molecular Weight:
294.6389
MDL Number:
MFCD30476418
IUPAC Name:
7-bromo-2,3,4,5-tetrahydro-1-benzothiepin-5-amine;hydrochloride
InChI:
InChI=1S/C10H12BrNS.ClH/c11-7-3-4-10-8(6-7)9(12)2-1-5-13-10;/h3-4,6,9H,1-2,5,12H2;1H
InChI Key:
ZRFZMYNWQIWKFC-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(N)CCCS2.Cl
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.964g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
294.635g/mol
Monoisotopic Mass:
292.964g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties