Multifungin

CAT: 0607-BA1688-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0607-BA1688-50Size:50 mg

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CAS Number

3679-64-9

Form

A solid

Molecular Formula

C13H9BrClNO2

Molecular Weight

326.57

Shipping Conditions

Blue ice

Storage Conditions

4°C, protect from light.

Chemical Information

Bromochlorosalicylanilide

Bromochlorosalicylanilide is a member of benzamides.

CAS Number	3679-64-9
PubChem CID	77254
IUPAC Name	5-bromo-N-(4-chlorophenyl)-2-hydroxybenzamide
Molecular Formula	C13H9BrClNO2
Molecular Weight	326.57
XLogP	4.6
Topological Polar Surface Area	49.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	295

SMILES

C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)Br)O)Cl

InChI

InChI=1S/C13H9BrClNO2/c14-8-1-6-12(17)11(7-8)13(18)16-10-4-2-9(15)3-5-10/h1-7,17H,(H,16,18)

InChIKey

QBSGXIBYUQJHMJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3679-64-9

CID: 77254

Formula: C13H9BrClNO2

MW: 326.57

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	326.57
XLogP3	4.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	324.95052
Monoisotopic Mass	324.95052
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	295
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
HY-B2140-01	Multifungin