(S) - (-) -Coumachlor

CAT: 1596-AR-C08374-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C08374-02Size:25 Units

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CAS Number

70888-76-5

Molecular Formula

C19H15ClO4

Molecular Weight

342.78

API Name

Coumachlor

Chemical Information

Coumachlor, (-)-

CAS Number	70888-76-5
PubChem CID	54704531
IUPAC Name	3-[(1S)-1-(4-chlorophenyl)-3-oxobutyl]-4-hydroxychromen-2-one
Molecular Formula	C19H15ClO4
Molecular Weight	342.8
XLogP	3.3
Topological Polar Surface Area	63.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	533

SMILES

CC(=O)C[C@@H](C1=CC=C(C=C1)Cl)C2=C(C3=CC=CC=C3OC2=O)O

InChI

InChI=1S/C19H15ClO4/c1-11(21)10-15(12-6-8-13(20)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23/h2-9,15,22H,10H2,1H3/t15-/m0/s1

InChIKey

DEKWZWCFHUABHE-HNNXBMFYSA-N

Chemical Structure

2D Structure

CAS: 70888-76-5

CID: 54704531

Formula: C19H15ClO4

MW: 342.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	342.8
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	342.0658866
Monoisotopic Mass	342.0658866
Topological Polar Surface Area	63.6 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	533
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-C08373-01	Rac-Coumachlor
AR-C08375-01	(R) - (+) -Coumachlor
AR-P02421-01	(S, S, S, S) -Benzylposaconazole
AR-O01425-01	(S, S, S, S) -Orlistat
AR-P31415-01	S, S, S-Triethyltetrathiophosphate
AR-P02400-01	Posaconazole Diastereoisomer 9 (S, S, S, S)
AR-O01420-01	(S, R, S, S) Orlistat
AR-O22949-01	(R, S, S, S) -Orlistat
AR-I04134-01	(S, S, S, R) -Isosorbide
AR-C08195-01	(S, S, S) -Cobicistat Enantiomer