2,2-difluoro-4-(4-methoxyphenyl)-10,12-dimethyl-11-{2-[(prop-2-yn-1-yl)carbamoyl]ethyl}-1??,3-diaza-2-boratricyclo[7.3.0.0³,?]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide

2,2-difluoro-4-(4-methoxyphenyl)-10,12-dimethyl-11-{2-[(prop-2-yn-1-yl)carbamoyl]ethyl}-1??,3-diaza-2-boratricyclo[7.3.0.0³,?]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide

Formula: C24H24BF2N3O2

SMILES: COC1=CC=C(C=C1)C1=CC=C2C=C3C(C)=C(CCC(=O)NCC#C)C(C)=[N+]3[B-](F)(F)N12

IUPAC: 2,2-difluoro-4-(4-methoxyphenyl)-10,12-dimethyl-11-{2-[(prop-2-yn-1-yl)carbamoyl]ethyl}-1??,3-diaza-2-boratricyclo[7.3.0.0³,?]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide

InChI: InChI=1S/C24H24BF2N3O2/c1-5-14-28-24(31)13-11-21-16(2)23-15-19-8-12-22(18-6-9-20(32-4)10-7-18)30(19)25(26,27)29(23)17(21)3/h1,6-10,12,15H,11,13-14H2,2-4H3,(H,28,31)

Composition: C (66.22%), H (5.56%), B (2.48%), F (8.73%), N (9.65%), O (7.35%)

Molar Mass: 435.28

Atom Count: 56

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	435.192963
Formal Charge	0
FSP3	0.25
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	HBRMSAJWEIMAKR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	123.06
Topological Polar Surface Area	46.27
Polarizability	46.31
Ring Count	4
Rotatable Bond Count	6

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C24H24BF2N3O2		Quote Only