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201987-39-5 | Benzaldehyde, 2-chloro-6-(methylthio)-
CAS No: 201987-39-5 Catalog No: AG0027ZD MDL No:
Product Description
Catalog Number:
AG0027ZD
Chemical Name:
Benzaldehyde, 2-chloro-6-(methylthio)-
CAS Number:
201987-39-5
Molecular Formula:
C8H7ClOS
Molecular Weight:
186.6586
IUPAC Name:
2-chloro-6-methylsulfanylbenzaldehyde
InChI:
InChI=1S/C8H7ClOS/c1-11-8-4-2-3-7(9)6(8)5-10/h2-5H,1H3
InChI Key:
DIHCMHQOKRZAQZ-UHFFFAOYSA-N
SMILES:
CSc1cccc(c1C=O)Cl
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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