PBRM1-BD2-IN-8 5mg

CAT: 0628-A24382-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A24382-5Size:5 mg

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CAS Number

2819989-75-6

Chemical Information

Pbrm1-BD2-IN-8

CAS Number	2819989-75-6
PubChem CID	164880766
IUPAC Name	5-bromo-2-(3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one
Molecular Formula	C15H13BrN2O
Molecular Weight	317.18
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)Br)C(=O)N2

InChI

InChI=1S/C15H13BrN2O/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

PXWIXTCIXZCREB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2819989-75-6

CID: 164880766

Formula: C15H13BrN2O

MW: 317.18

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	317.18
XLogP3	3.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	316.02113
Monoisotopic Mass	316.02113
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