DHODH-IN-8

CAT: 0607-BA2213-1Size: 1 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0607-BA2213-1Size:1 mg

Selected

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

Quick Request Actions

CAS Number

1148126-03-7

Molecular Formula

C17H13ClN2O2

Molecular Weight

312.75

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

(2Z)-N-(2'-chloro-(1,1'-biphenyl)-4-yl)-2-cyano-3-hydroxybut-2-enamide

CAS Number	1148126-03-7
PubChem CID	54727983
IUPAC Name	(Z)-N-[4-(2-chlorophenyl)phenyl]-2-cyano-3-hydroxybut-2-enamide
Molecular Formula	C17H13ClN2O2
Molecular Weight	312.7
XLogP	4.6
Topological Polar Surface Area	73.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	486

SMILES

C/C(=C(\C#N)/C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2Cl)/O

InChI

InChI=1S/C17H13ClN2O2/c1-11(21)15(10-19)17(22)20-13-8-6-12(7-9-13)14-4-2-3-5-16(14)18/h2-9,21H,1H3,(H,20,22)/b15-11-

InChIKey

LPTUTTULCBOUPL-PTNGSMBKSA-N

Chemical Structure

2D Structure

CAS: 1148126-03-7

CID: 54727983

Formula: C17H13ClN2O2

MW: 312.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	312.7
XLogP3	4.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	312.0665554
Monoisotopic Mass	312.0665554
Topological Polar Surface Area	73.1 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	486
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes