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Home > Boronic Acids > 847801-60-9
847801-60-9 | Boronic acid, [4-(mercaptomethyl)phenyl]- (9CI)
CAS No: 847801-60-9 Catalog No: AG00GMWE MDL No:
Product Description
Catalog Number:
AG00GMWE
Chemical Name:
Boronic acid, [4-(mercaptomethyl)phenyl]- (9CI)
CAS Number:
847801-60-9
IUPAC Name:
[4-(sulfanylmethyl)phenyl]boronic acid
InChI:
InChI=1S/C7H9BO2S/c9-8(10)7-3-1-6(5-11)2-4-7/h1-4,9-11H,5H2
InChI Key:
ADCNCRKVLBEBIF-UHFFFAOYSA-N
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.042g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
168.017g/mol
Monoisotopic Mass:
168.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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