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Home > Aldehydes > 182961-53-1
182961-53-1 | 10H-Phenothiazine-3-carboxaldehyde, 10-butyl-
CAS No: 182961-53-1 Catalog No: AG0024AL MDL No:
Product Description
Catalog Number:
AG0024AL
Chemical Name:
10H-Phenothiazine-3-carboxaldehyde, 10-butyl-
CAS Number:
182961-53-1
Molecular Formula:
C17H17NOS
Molecular Weight:
283.3880
IUPAC Name:
10-butylphenothiazine-3-carbaldehyde
InChI:
InChI=1S/C17H17NOS/c1-2-3-10-18-14-6-4-5-7-16(14)20-17-11-13(12-19)8-9-15(17)18/h4-9,11-12H,2-3,10H2,1H3
InChI Key:
BPMJEQGEJQHGCZ-UHFFFAOYSA-N
SMILES:
CCCCN1c2ccc(cc2Sc2c1cccc2)C=O
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.103g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.389g/mol
Monoisotopic Mass:
283.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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