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tert-ButylBrettPhos

CAT: 0572-TRC-B694080-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B694080-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1160861-53-9
Synonyms
[3,6-Dimethoxy-2',4',6'-tris(1-methylethyl)[1,1'-biphenyl]-2-yl]bis(1,1-dimethylethyl)phosphine; Di-tert-butyl(2',4',6'-triisopropyl-3,6-dimethoxybiphenyl-2-yl)phosphine
Hazard Statement
No Data Available
Smiles
COc1ccc(OC)c(c1P(C(C)(C)C)C(C)(C)C)c2c(cc(cc2C(C)C)C(C)C)C(C)C
Molecular Formula
C31H49O2P
Molecular Weight
484.69
Shipping Conditions
Room Temperature

Chemical Information

Di-tert-butyl(2',4',6'-triisopropyl-3,6-dimethoxy-(1,1'-biphenyl)-2-yl)phosphine
CAS Number1160861-53-9
PubChem CID44233348
IUPAC Nameditert-butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
Molecular FormulaC31H49O2P
Molecular Weight484.7
XLogP8.4
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity582
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C(C)(C)C)C(C)(C)C)OC)OC)C(C)C
InChI
InChI=1S/C31H49O2P/c1-19(2)22-17-23(20(3)4)27(24(18-22)21(5)6)28-25(32-13)15-16-26(33-14)29(28)34(30(7,8)9)31(10,11)12/h15-21H,1-14H3
InChIKey
REWLCYPYZCHYSS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Di-tert-butyl(2',4',6'-triisopropyl-3,6-dimethoxy-(1,1'-biphenyl)-2-yl)phosphine
CAS: 1160861-53-9
CID: 44233348
Formula: C31H49O2P
MW: 484.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight484.7
XLogP38.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass484.34701780
Monoisotopic Mass484.34701780
Topological Polar Surface Area18.5 Ų
Heavy Atom Count34
Formal Charge0
Complexity582
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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