2-Bromo-7-chloronaphthalene

CAT: 0127-OR1065609-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1065609-01Size:100 mg

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CAS Number

321939-67-7

MDL Number

MFCD17012545

Purity

90%

Smiles

ClC1=CC2=CC(Br)=CC=C2C=C1

Chemical Information

2-Bromo-7-chloronaphthalene

CAS Number	321939-67-7
PubChem CID	51358509
IUPAC Name	2-bromo-7-chloronaphthalene
Molecular Formula	C10H6BrCl
Molecular Weight	241.51
XLogP	4.8
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	160

SMILES

C1=CC(=CC2=C1C=CC(=C2)Br)Cl

InChI

InChI=1S/C10H6BrCl/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6H

InChIKey

YLTANKRXEFSANA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 321939-67-7

CID: 51358509

Formula: C10H6BrCl

MW: 241.51

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	241.51
XLogP3	4.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	239.93414
Monoisotopic Mass	239.93414
Topological Polar Surface Area	0 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	160
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

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