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81509-49-1 | Phosphonic dichloride, [2,4,6-tris(1,1-dimethylethyl)phenyl]-
CAS No: 81509-49-1 Catalog No: AG005K9I MDL No:
Product Description
Catalog Number:
AG005K9I
Chemical Name:
Phosphonic dichloride, [2,4,6-tris(1,1-dimethylethyl)phenyl]-
CAS Number:
81509-49-1
Molecular Formula:
C18H29Cl2OP
Molecular Weight:
363.3020
IUPAC Name:
1,3,5-tritert-butyl-2-dichlorophosphorylbenzene
InChI:
InChI=1S/C18H29Cl2OP/c1-16(2,3)12-10-13(17(4,5)6)15(22(19,20)21)14(11-12)18(7,8)9/h10-11H,1-9H3
InChI Key:
XCMAZSPXAGKWQO-UHFFFAOYSA-N
SMILES:
CC(c1cc(cc(c1P(=O)(Cl)Cl)C(C)(C)C)C(C)(C)C)(C)C
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.133g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.303g/mol
Monoisotopic Mass:
362.133g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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