4'-Chloro-4-methoxychalcone

CAT: 0926-FC67418-02Size: 10 gDry Ice: NoHazardous: No

1 / 1

CAT#:0926-FC67418-02Size:10 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

6552-63-2

Synonyms

1- (4-Chlorophenyl) -3- (4-methoxyphenyl) prop-2-en-1-one

MDL Number

MFCD00018708

Smiles

COC1=CC=C (C=C1) /C=C/C (=O) C2=CC=C (C=C2) Cl

Molecular Formula

C16H13ClO2

Molecular Weight

272.73 g/mol

Controlled

Chemical Information

1-(4-Chlorophenyl)-3-(4-methoxyphenyl)-2-propen-1-one

CAS Number	6552-63-2
PubChem CID	256546
IUPAC Name	1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Molecular Formula	C16H13ClO2
Molecular Weight	272.72
XLogP	3.7
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	19
Formal Charge	0
Complexity	311

SMILES

COC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H13ClO2/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-11H,1H3

InChIKey

KGKFNDADSPFRCJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6552-63-2

CID: 256546

Formula: C16H13ClO2

MW: 272.72

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	272.72
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	272.0604073
Monoisotopic Mass	272.0604073
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	311
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes