Mebroqualone

CAT: 0926-EAA26020-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-EAA26020-01Size:10 mg

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

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CAS Number

4260-20-2

MDL Number

MFCD00432593

Smiles

CC1=NC2=CC=CC=C2C (=O) N1C3=CC=CC=C3Br

Molecular Formula

C15H11BrN2O

Molecular Weight

315.16 g/mol

Controlled

Yes

Chemical Information

3-(2-Bromophenyl)-2-methyl-4(3H)-quinazolinone

CAS Number	4260-20-2
PubChem CID	364842
IUPAC Name	3-(2-bromophenyl)-2-methylquinazolin-4-one
Molecular Formula	C15H11BrN2O
Molecular Weight	315.16
XLogP	2.8
Topological Polar Surface Area	32.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	19
Formal Charge	0
Complexity	396

SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3Br

InChI

InChI=1S/C15H11BrN2O/c1-10-17-13-8-4-2-6-11(13)15(19)18(10)14-9-5-3-7-12(14)16/h2-9H,1H3

InChIKey

NBUSAPJNASSKBP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4260-20-2

CID: 364842

Formula: C15H11BrN2O

MW: 315.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	315.16
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	314.00548
Monoisotopic Mass	314.00548
Topological Polar Surface Area	32.7 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	396
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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
TRC-M202545-250MG	Mebroqualone
454267-01	Mebroqualone discontinued