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210548-62-2 | Benzoic acid, 3,5-bis[4-(9H-carbazol-9-yl)butoxy]-, methyl ester
CAS No: 210548-62-2 Catalog No: AG002KUG MDL No:
Product Description
Catalog Number:
AG002KUG
Chemical Name:
Benzoic acid, 3,5-bis[4-(9H-carbazol-9-yl)butoxy]-, methyl ester
CAS Number:
210548-62-2
Molecular Formula:
C40H38N2O4
Molecular Weight:
610.7407
IUPAC Name:
methyl 3,5-bis(4-carbazol-9-ylbutoxy)benzoate
InChI:
InChI=1S/C40H38N2O4/c1-44-40(43)29-26-30(45-24-12-10-22-41-36-18-6-2-14-32(36)33-15-3-7-19-37(33)41)28-31(27-29)46-25-13-11-23-42-38-20-8-4-16-34(38)35-17-5-9-21-39(35)42/h2-9,14-21,26-28H,10-13,22-25H2,1H3
InChI Key:
UATPAUMLJOUMCG-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(OCCCCn2c3ccccc3c3c2cccc3)cc(c1)OCCCCn1c2ccccc2c2c1cccc2
Properties
Complexity:
852
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
610.283g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
610.754g/mol
Monoisotopic Mass:
610.283g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.2
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