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Home > Aldehydes > 1315550-49-2
1315550-49-2 | Benzo[b]thiophene-2-carboxaldehyde, 3-chloro-7-methoxy-
CAS No: 1315550-49-2 Catalog No: AG000ZF6 MDL No:
Product Description
Catalog Number:
AG000ZF6
Chemical Name:
Benzo[b]thiophene-2-carboxaldehyde, 3-chloro-7-methoxy-
CAS Number:
1315550-49-2
Molecular Formula:
C10H7ClO2S
Molecular Weight:
226.6794
IUPAC Name:
3-chloro-7-methoxy-1-benzothiophene-2-carbaldehyde
InChI:
InChI=1S/C10H7ClO2S/c1-13-7-4-2-3-6-9(11)8(5-12)14-10(6)7/h2-5H,1H3
InChI Key:
DYGFGGGALUMFDJ-UHFFFAOYSA-N
SMILES:
COc1cccc2c1sc(c2Cl)C=O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.986g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.674g/mol
Monoisotopic Mass:
225.986g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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