JackiePhos

CAT: 0127-PC111756-02Size: 250 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-PC111756-02Size:250 mg

Selected

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

Quick Request Actions

CAS Number

1160861-60-8

Purity

98%

Smiles

CC(C)C1=CC(C(C)C)=C(C2=C(OC)C=CC(OC)=C2P(C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)C(C(C)C)=C1

Chemical Information

Bis(3,5-bis(trifluoromethyl)phenyl)(3,6-dimethoxy-2',4',6'-tri(propan-2-yl)(1,1'-biphenyl)-2-yl)phosphane

CAS Number	1160861-60-8
PubChem CID	44597232
IUPAC Name	bis[3,5-bis(trifluoromethyl)phenyl]-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
Molecular Formula	C39H37F12O2P
Molecular Weight	796.7
XLogP	13.1
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	9
Heavy Atom Count	54
Formal Charge	0
Complexity	1070

SMILES

CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)OC)OC)C(C)C

InChI

InChI=1S/C39H37F12O2P/c1-19(2)22-11-29(20(3)4)33(30(12-22)21(5)6)34-31(52-7)9-10-32(53-8)35(34)54(27-15-23(36(40,41)42)13-24(16-27)37(43,44)45)28-17-25(38(46,47)48)14-26(18-28)39(49,50)51/h9-21H,1-8H3

InChIKey

KYTUFIMHJNRPLC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1160861-60-8

CID: 44597232

Formula: C39H37F12O2P

MW: 796.7

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	796.7
XLogP3	13.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	9
Exact Mass	796.2339554
Monoisotopic Mass	796.2339554
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	54
Formal Charge	0
Complexity	1070
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

JackiePhos

Chemical Information

Popular Products