MAO-B-IN-30

CAT: 0607-BA8530-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-BA8530-25Size:25 mg

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

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CAS Number

82973-15-7

Form

A solid

Molecular Formula

C15H10BrN3O2

Molecular Weight

344.16

Shipping Conditions

Blue ice

Storage Conditions

4°C, protect from light.

Chemical Information

Mao-B-IN-30

CAS Number	82973-15-7
PubChem CID	786858
IUPAC Name	4-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
Molecular Formula	C15H10BrN3O2
Molecular Weight	344.16
XLogP	4.4
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	410

SMILES

C1=CC=C2C(=C1)C(=C(N2)O)N=NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C15H10BrN3O2/c16-10-7-5-9(6-8-10)14(20)19-18-13-11-3-1-2-4-12(11)17-15(13)21/h1-8,17,21H

InChIKey

VWPDISBHGQKPGY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 82973-15-7

CID: 786858

Formula: C15H10BrN3O2

MW: 344.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	344.16
XLogP3	4.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	342.99564
Monoisotopic Mass	342.99564
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	410
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