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1025707-99-6 | 1H-Pyrrole, 2,2'-[[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]methylene]bis-
CAS No: 1025707-99-6 Catalog No: AG0007QO MDL No:MFCD08669615
Product Description
Catalog Number:
AG0007QO
Chemical Name:
1H-Pyrrole, 2,2'-[[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]methylene]bis-
CAS Number:
1025707-99-6
Molecular Formula:
C20H23BN2O2
Molecular Weight:
334.2198
MDL Number:
MFCD08669615
IUPAC Name:
2-[[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
InChI:
InChI=1S/C20H23BN2O2/c1-20(2)13-24-21(25-14-20)16-9-7-15(8-10-16)19(17-5-3-11-22-17)18-6-4-12-23-18/h3-12,19,22-23H,13-14H2,1-2H3
InChI Key:
JWZNBORWRYAAFX-UHFFFAOYSA-N
SMILES:
CC1(C)COB(OC1)c1ccc(cc1)C(c1ccc[nH]1)c1ccc[nH]1
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.185g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
334.226g/mol
Monoisotopic Mass:
334.185g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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