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90150-98-4 | 4-Bromo-3-methoxybenzenethiol
CAS No: 90150-98-4 Catalog No: AG01EYYI MDL No:
Product Description
Catalog Number:
AG01EYYI
Chemical Name:
4-Bromo-3-methoxybenzenethiol
CAS Number:
90150-98-4
Molecular Formula:
C7H7BrOS
Molecular Weight:
219.0989
IUPAC Name:
4-bromo-3-methoxybenzenethiol
InChI:
InChI=1S/C7H7BrOS/c1-9-7-4-5(10)2-3-6(7)8/h2-4,10H,1H3
InChI Key:
XBQJQACYTFIJOF-UHFFFAOYSA-N
SMILES:
COc1cc(S)ccc1Br
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.94g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.096g/mol
Monoisotopic Mass:
217.94g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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