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853644-04-9 | Benzoyl chloride, 4-[[(phenylamino)thioxomethyl]amino]-
CAS No: 853644-04-9 Catalog No: AG004U26 MDL No:
Product Description
Catalog Number:
AG004U26
Chemical Name:
Benzoyl chloride, 4-[[(phenylamino)thioxomethyl]amino]-
CAS Number:
853644-04-9
Molecular Formula:
C14H11ClN2OS
Molecular Weight:
290.7679
IUPAC Name:
4-(phenylcarbamothioylamino)benzoyl chloride
InChI:
InChI=1S/C14H11ClN2OS/c15-13(18)10-6-8-12(9-7-10)17-14(19)16-11-4-2-1-3-5-11/h1-9H,(H2,16,17,19)
InChI Key:
LHMQNILUUDBSNL-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccccc1)Nc1ccc(cc1)C(=O)Cl
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.028g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
290.765g/mol
Monoisotopic Mass:
290.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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