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38125-81-4 | 3-CHLORO-4-(METHYLTHIO)BENZALDEHYDE
CAS No: 38125-81-4 Catalog No: AG01DWE5 MDL No:MFCD24056861
Product Description
Catalog Number:
AG01DWE5
Chemical Name:
3-CHLORO-4-(METHYLTHIO)BENZALDEHYDE
CAS Number:
38125-81-4
Molecular Formula:
C8H7ClOS
Molecular Weight:
186.6586
MDL Number:
MFCD24056861
IUPAC Name:
3-chloro-4-methylsulfanylbenzaldehyde
InChI:
InChI=1S/C8H7ClOS/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3
InChI Key:
LMPPOJFNFLYALG-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)Cl)SC
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.991g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.653g/mol
Monoisotopic Mass:
185.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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