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118398-76-8 | 1H-Phosphirene, 1-chloro-2-(1,1-dimethylpropyl)-3-phenyl-
CAS No: 118398-76-8 Catalog No: AG000IR5 MDL No:
Product Description
Catalog Number:
AG000IR5
Chemical Name:
1H-Phosphirene, 1-chloro-2-(1,1-dimethylpropyl)-3-phenyl-
CAS Number:
118398-76-8
Molecular Formula:
C13H16ClP
Molecular Weight:
238.6929
IUPAC Name:
1-chloro-2-(2-methylbutan-2-yl)-3-phenylphosphirene
InChI:
InChI=1S/C13H16ClP/c1-4-13(2,3)12-11(15(12)14)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
InChI Key:
AGRIRTVIXNUKGE-UHFFFAOYSA-N
SMILES:
CCC(C1=C(P1Cl)c1ccccc1)(C)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.068g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.695g/mol
Monoisotopic Mass:
238.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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