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84258-82-2 | 3-Chloro-4-methyl-3a,7a-dihydrobenzo[b]thiophene-2-carbaldehyde
CAS No: 84258-82-2 Catalog No: AG004YPR MDL No:
Product Description
Catalog Number:
AG004YPR
Chemical Name:
3-Chloro-4-methyl-3a,7a-dihydrobenzo[b]thiophene-2-carbaldehyde
CAS Number:
84258-82-2
Molecular Formula:
C10H9ClOS
Molecular Weight:
212.6959
IUPAC Name:
3-chloro-4-methyl-3a,7a-dihydro-1-benzothiophene-2-carbaldehyde
InChI:
InChI=1S/C10H9ClOS/c1-6-3-2-4-7-9(6)10(11)8(5-12)13-7/h2-5,7,9H,1H3
InChI Key:
YLICHWJBIZTJAA-UHFFFAOYSA-N
SMILES:
O=CC1=C(Cl)C2C(S1)C=CC=C2C
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.006g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.691g/mol
Monoisotopic Mass:
212.006g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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