Home Halogens Benzo[b]thiophene-3-methanol,5-bromo-

Benzo[b]thiophene-3-methanol,5-bromo-

CAS No.:
852180-52-0
Catalog Number:
AG004VYJ
Molecular Formula:
C9H7BrOS
Molecular Weight:
243.1203
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Product Description
Catalog Number:
AG004VYJ
Chemical Name:
Benzo[b]thiophene-3-methanol,5-bromo-
CAS Number:
852180-52-0
Molecular Formula:
C9H7BrOS
Molecular Weight:
243.1203
MDL Number:
MFCD08060475
IUPAC Name:
(5-bromo-1-benzothiophen-3-yl)methanol
InChI:
InChI=1S/C9H7BrOS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5,11H,4H2
InChI Key:
MYIMGJBVLBPXGC-UHFFFAOYSA-N
SMILES:
OCc1csc2c1cc(Br)cc2
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.94g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
243.118g/mol
Monoisotopic Mass:
241.94g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties