PBRM1-BD2-IN-5

CAT: 0607-BA4703-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA4703-5Size:5 mg

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

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CAS Number

2819989-61-0

Form

A solid

Molecular Formula

C15H13ClN2O

Molecular Weight

272.73

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Pbrm1-BD2-IN-5

CAS Number	2819989-61-0
PubChem CID	164880770
IUPAC Name	5-chloro-2-(3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one
Molecular Formula	C15H13ClN2O
Molecular Weight	272.73
XLogP	3.6
Topological Polar Surface Area	41.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	19
Formal Charge	0
Complexity	349

SMILES

CC1=CC(=CC=C1)C2NC3=C(C(=CC=C3)Cl)C(=O)N2

InChI

InChI=1S/C15H13ClN2O/c1-9-4-2-5-10(8-9)14-17-12-7-3-6-11(16)13(12)15(19)18-14/h2-8,14,17H,1H3,(H,18,19)

InChIKey

OBDBCXGMLSMARG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2819989-61-0

CID: 164880770

Formula: C15H13ClN2O

MW: 272.73

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	272.73
XLogP3	3.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	272.0716407
Monoisotopic Mass	272.0716407
Topological Polar Surface Area	41.1 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	349
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