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126826-60-6 | Benzoic acid, 4-[[(1-butyl-2-pyrrolidinylidene)amino]sulfonyl]-, methyl ester
CAS No: 126826-60-6 Catalog No: AG000TAI MDL No:
Product Description
Catalog Number:
AG000TAI
Chemical Name:
Benzoic acid, 4-[[(1-butyl-2-pyrrolidinylidene)amino]sulfonyl]-, methyl ester
CAS Number:
126826-60-6
Molecular Formula:
C16H22N2O4S
Molecular Weight:
338.4219
IUPAC Name:
methyl 4-[(1-butylpyrrolidin-2-ylidene)amino]sulfonylbenzoate
InChI:
InChI=1S/C16H22N2O4S/c1-3-4-11-18-12-5-6-15(18)17-23(20,21)14-9-7-13(8-10-14)16(19)22-2/h7-10H,3-6,11-12H2,1-2H3
InChI Key:
BHRCXEJEISUWAX-UHFFFAOYSA-N
SMILES:
CCCCN1CCCC1=NS(=O)(=O)c1ccc(cc1)C(=O)OC
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.13g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.422g/mol
Monoisotopic Mass:
338.13g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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