(E/Z) -BCI

CAT: 0127-BUP12860-03Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP12860-03Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

15982-84-0

Synonyms

NSC 150117

Purity

=98%

Smiles

O=C1C(=Cc2ccccc2)C(NC2CCCCC2)c2ccccc12

Chemical Information

(E/Z)-Bci

CAS Number	15982-84-0
PubChem CID	5475586
IUPAC Name	(2Z)-2-benzylidene-3-(cyclohexylamino)-3H-inden-1-one
Molecular Formula	C22H23NO
Molecular Weight	317.4
XLogP	4.7
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	24
Formal Charge	0
Complexity	470

SMILES

C1CCC(CC1)NC\2C3=CC=CC=C3C(=O)/C2=C\C4=CC=CC=C4

InChI

InChI=1S/C22H23NO/c24-22-19-14-8-7-13-18(19)21(23-17-11-5-2-6-12-17)20(22)15-16-9-3-1-4-10-16/h1,3-4,7-10,13-15,17,21,23H,2,5-6,11-12H2/b20-15-

InChIKey

XJDKPLZUXCIMIS-HKWRFOASSA-N

Chemical Structure

2D Structure

CAS: 15982-84-0

CID: 5475586

Formula: C22H23NO

MW: 317.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	317.4
XLogP3	4.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	317.177964357
Monoisotopic Mass	317.177964357
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	470
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes