AC-186

CAT: 0127-BUP12310-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP12310-02Size:10 mg

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

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CAS Number

1421854-16-1

Synonyms

AC186, AC 186

Purity

=98%

Smiles

FC=1C=CC=CC1C2(C3=CC=C(O)C=C3)CCC(F)(F)CC2

Chemical Information

AC-186

structure in first source

CAS Number	1421854-16-1
PubChem CID	71245042
IUPAC Name	4-[4,4-difluoro-1-(2-fluorophenyl)cyclohexyl]phenol
Molecular Formula	C18H17F3O
Molecular Weight	306.3
XLogP	5.3
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	22
Formal Charge	0
Complexity	367

SMILES

C1CC(CCC1(C2=CC=C(C=C2)O)C3=CC=CC=C3F)(F)F

InChI

InChI=1S/C18H17F3O/c19-16-4-2-1-3-15(16)17(9-11-18(20,21)12-10-17)13-5-7-14(22)8-6-13/h1-8,22H,9-12H2

InChIKey

HSMUKSLNDJOZQG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1421854-16-1

CID: 71245042

Formula: C18H17F3O

MW: 306.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	306.3
XLogP3	5.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	306.12314965
Monoisotopic Mass	306.12314965
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	367
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes