Home Halogens 7-bromo-2,3,4,5-tetrahydro-1-benzothiepine

7-bromo-2,3,4,5-tetrahydro-1-benzothiepine

CAS No.:
15084-57-8
Catalog Number:
AG01DQSY
Molecular Formula:
C10H11BrS
Molecular Weight:
243.1633
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Product Description
Catalog Number:
AG01DQSY
Chemical Name:
7-bromo-2,3,4,5-tetrahydro-1-benzothiepine
CAS Number:
15084-57-8
Molecular Formula:
C10H11BrS
Molecular Weight:
243.1633
MDL Number:
MFCD22034190
IUPAC Name:
7-bromo-2,3,4,5-tetrahydro-1-benzothiepine
InChI:
InChI=1S/C10H11BrS/c11-9-4-5-10-8(7-9)3-1-2-6-12-10/h4-5,7H,1-3,6H2
InChI Key:
UHQXLDKPWMNLOF-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)CCCCS2
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.976g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.162g/mol
Monoisotopic Mass:
241.976g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties