PVHD121

CAT: 0926-MHA33616-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-MHA33616-02Size:50 mg

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

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CAS Number

187336-16-9

Smiles

C=CC (=O) N1CCN (CC1) C2=NC=NC3=C (C (=C (C=C32) Cl) C4=C (C=CC=C4F) O) F

Molecular Formula

C21H17ClF2N4O2

Molecular Weight

430.8 g/mol

Controlled

Chemical Information

1-(4-Methoxyphenyl)-1-(quinazolin-4-yl)ethanol

CAS Number	187336-16-9
PubChem CID	10826594
IUPAC Name	1-(4-methoxyphenyl)-1-quinazolin-4-ylethanol
Molecular Formula	C17H16N2O2
Molecular Weight	280.32
XLogP	2.5
Topological Polar Surface Area	55.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	344

SMILES

CC(C1=CC=C(C=C1)OC)(C2=NC=NC3=CC=CC=C32)O

InChI

InChI=1S/C17H16N2O2/c1-17(20,12-7-9-13(21-2)10-8-12)16-14-5-3-4-6-15(14)18-11-19-16/h3-11,20H,1-2H3

InChIKey

WGDUWVWCDNCAOT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 187336-16-9

CID: 10826594

Formula: C17H16N2O2

MW: 280.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	280.32
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	280.121177757
Monoisotopic Mass	280.121177757
Topological Polar Surface Area	55.2 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	344
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes