Diproxadol

CAT: 0926-CCA04224-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-CCA04224-04Size:100 mg

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

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CAS Number

52042-24-7

MDL Number

MFCD00869134

Smiles

CC1C (=O) N (C2=C (O1) C=CC (=C2) Cl) CC (CO) O

Molecular Formula

C12H14ClNO4

Molecular Weight

271.69 g/mol

Controlled

Chemical Information

Diproxadol

CAS Number	52042-24-7
PubChem CID	68688
IUPAC Name	6-chloro-4-(2,3-dihydroxypropyl)-2-methyl-1,4-benzoxazin-3-one
Molecular Formula	C12H14ClNO4
Molecular Weight	271.69
XLogP	0.8
Topological Polar Surface Area	70
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	314

SMILES

CC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(CO)O

InChI

InChI=1S/C12H14ClNO4/c1-7-12(17)14(5-9(16)6-15)10-4-8(13)2-3-11(10)18-7/h2-4,7,9,15-16H,5-6H2,1H3

InChIKey

YIAHFLWLLVEPPS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 52042-24-7

CID: 68688

Formula: C12H14ClNO4

MW: 271.69

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	271.69
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	271.0611356
Monoisotopic Mass	271.0611356
Topological Polar Surface Area	70 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	314
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TRC-D496580-100MG	Diproxadol