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Brettphos

CAS No.:
1070663-78-3
Catalog Number:
AG0032VF
Molecular Formula:
C35H53O2P
Molecular Weight:
536.7679
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$69
- +
5g
95%
In Stock USA
United States
$200
- +
10g
98%
In Stock USA
United States
$350
- +
25g
98%
In Stock USA
United States
$700
- +
100g
98%
In Stock USA
United States
$2250
- +
Product Description
Catalog Number:
AG0032VF
Chemical Name:
Brettphos
CAS Number:
1070663-78-3
Molecular Formula:
C35H53O2P
Molecular Weight:
536.7679
MDL Number:
MFCD11973797
IUPAC Name:
dicyclohexyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
InChI:
InChI=1S/C35H53O2P/c1-23(2)26-21-29(24(3)4)33(30(22-26)25(5)6)34-31(36-7)19-20-32(37-8)35(34)38(27-15-11-9-12-16-27)28-17-13-10-14-18-28/h19-25,27-28H,9-18H2,1-8H3
InChI Key:
WDVGNXKCFBOKDF-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1c1c(cc(cc1C(C)C)C(C)C)C(C)C)P(C1CCCCC1)C1CCCCC1)OC
UNII:
4NJ39STQ41
Properties
Complexity:
643  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
536.378g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
536.781g/mol
Monoisotopic Mass:
536.378g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.1  
Properties