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3064-55-9 | Phosphonothioic dichloride, (4-chlorophenyl)- (9CI)
CAS No: 3064-55-9 Catalog No: AG0030QB MDL No:
Product Description
Catalog Number:
AG0030QB
Chemical Name:
Phosphonothioic dichloride, (4-chlorophenyl)- (9CI)
CAS Number:
3064-55-9
Molecular Formula:
C6H4Cl3PS
Molecular Weight:
245.4937
IUPAC Name:
dichloro-(4-chlorophenyl)-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C6H4Cl3PS/c7-5-1-3-6(4-2-5)10(8,9)11/h1-4H
InChI Key:
QGRSBNONBLNULI-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)P(=S)(Cl)Cl
NSC Number:
176340
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.884g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.482g/mol
Monoisotopic Mass:
243.884g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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