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Home > Aldehydes > 1402144-47-1
1402144-47-1 | Benzo[b]thiophene-2-carboxaldehyde, 3-bromo-4-methyl-
CAS No: 1402144-47-1 Catalog No: AG001C59 MDL No:
Product Description
Catalog Number:
AG001C59
Chemical Name:
Benzo[b]thiophene-2-carboxaldehyde, 3-bromo-4-methyl-
CAS Number:
1402144-47-1
Molecular Formula:
C10H7BrOS
Molecular Weight:
255.1310
IUPAC Name:
3-bromo-4-methyl-1-benzothiophene-2-carbaldehyde
InChI:
InChI=1S/C10H7BrOS/c1-6-3-2-4-7-9(6)10(11)8(5-12)13-7/h2-5H,1H3
InChI Key:
PNNZIMJVCJQSLQ-UHFFFAOYSA-N
SMILES:
O=Cc1sc2c(c1Br)c(C)ccc2
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.94g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.129g/mol
Monoisotopic Mass:
253.94g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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