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1005412-69-0 | 5-IODO-2-MERCAPTOBENZOIC ACID
CAS No: 1005412-69-0 Catalog No: AG01BT75 MDL No:MFCD22481314
Product Description
Catalog Number:
AG01BT75
Chemical Name:
5-IODO-2-MERCAPTOBENZOIC ACID
CAS Number:
1005412-69-0
Molecular Formula:
C7H5IO2S
Molecular Weight:
280.0829
MDL Number:
MFCD22481314
IUPAC Name:
5-iodo-2-sulfanylbenzoic acid
InChI:
InChI=1S/C7H5IO2S/c8-4-1-2-6(11)5(3-4)7(9)10/h1-3,11H,(H,9,10)
InChI Key:
DSEOHZFMNDXZGY-UHFFFAOYSA-N
SMILES:
Ic1ccc(c(c1)C(=O)O)S
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.905g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.079g/mol
Monoisotopic Mass:
279.905g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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