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4-methyl-N'-{[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylidene}benzenesulfonohydrazide

4-methyl-N'-{[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylidene}benzenesulfonohydrazide

CAS: 1367368-40-8

Formula: C20H25BN2O4S

SMILES: CC1=CC=C(C=C1)S(=O)(=O)NN=CC1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: 4-methyl-N'-{[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylidene}benzene-1-sulfonohydrazide

InChI: InChI=1S/C20H25BN2O4S/c1-15-6-12-18(13-7-15)28(24,25)23-22-14-16-8-10-17(11-9-16)21-26-19(2,3)20(4,5)27-21/h6-14,23H,1-5H3

Composition: C (60.01%), H (6.30%), B (2.70%), N (7.00%), O (15.99%), S (8.01%)

Molar Mass: 400.3

Atom Count: 53

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 400.162808
Formal Charge 0
FSP3 0.35
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey JTOBBSYXOGLTMQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 106.01
Topological Polar Surface Area 76.99
Polarizability 43.18
Ring Count 3
Rotatable Bond Count 4

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