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20142-20-5 | Benzaldehyde, 4-bromo-2-mercapto-
CAS No: 20142-20-5 Catalog No: AG002DEW MDL No:
Product Description
Catalog Number:
AG002DEW
Chemical Name:
Benzaldehyde, 4-bromo-2-mercapto-
CAS Number:
20142-20-5
Molecular Formula:
C7H5BrOS
Molecular Weight:
217.0830
IUPAC Name:
4-bromo-2-sulfanylbenzaldehyde
InChI:
InChI=1S/C7H5BrOS/c8-6-2-1-5(4-9)7(10)3-6/h1-4,10H
InChI Key:
BJXYXJAAQPKFEB-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1S)Br
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.924g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.08g/mol
Monoisotopic Mass:
215.924g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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