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1340366-62-2 | 4-bromo-2-(propan-2-ylsulfanyl)benzaldehyde
CAS No: 1340366-62-2 Catalog No: AG01A5AW MDL No:MFCD18887922
Product Description
Catalog Number:
AG01A5AW
Chemical Name:
4-bromo-2-(propan-2-ylsulfanyl)benzaldehyde
CAS Number:
1340366-62-2
Molecular Formula:
C10H11BrOS
Molecular Weight:
259.1627
MDL Number:
MFCD18887922
IUPAC Name:
4-bromo-2-propan-2-ylsulfanylbenzaldehyde
InChI:
InChI=1S/C10H11BrOS/c1-7(2)13-10-5-9(11)4-3-8(10)6-12/h3-7H,1-2H3
InChI Key:
SOSXCMCHPMPLCX-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1SC(C)C)Br
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.971g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.161g/mol
Monoisotopic Mass:
257.971g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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