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145915-19-1 | 2-BROMO-4-METHOXYTHIOPHENOL
CAS No: 145915-19-1 Catalog No: AG01BKKF MDL No:MFCD12150429
Product Description
Catalog Number:
AG01BKKF
Chemical Name:
2-BROMO-4-METHOXYTHIOPHENOL
CAS Number:
145915-19-1
Molecular Formula:
C7H7BrOS
Molecular Weight:
219.0989
MDL Number:
MFCD12150429
IUPAC Name:
2-bromo-4-methoxybenzenethiol
InChI:
InChI=1S/C7H7BrOS/c1-9-5-2-3-7(10)6(8)4-5/h2-4,10H,1H3
InChI Key:
LBDOFNJKOJZMHQ-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)Br)S
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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