6-Bromo-4-chlorocinnoline

CAT: 0127-OR76504-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR76504-01Size:100 mg

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CAS Number

68211-15-4

MDL Number

MFCD09834643

Purity

95%

Smiles

ClC1=C2C=C(Br)C=CC2=NN=C1

Chemical Information

6-Bromo-4-chlorocinnoline

CAS Number	68211-15-4
PubChem CID	12448078
IUPAC Name	6-bromo-4-chlorocinnoline
Molecular Formula	C8H4BrClN2
Molecular Weight	243.49
XLogP	2.5
Topological Polar Surface Area	25.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	167

SMILES

C1=CC2=C(C=C1Br)C(=CN=N2)Cl

InChI

InChI=1S/C8H4BrClN2/c9-5-1-2-8-6(3-5)7(10)4-11-12-8/h1-4H

InChIKey

WAKDQKOZUBTOEX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 68211-15-4

CID: 12448078

Formula: C8H4BrClN2

MW: 243.49

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	243.49
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	241.92464
Monoisotopic Mass	241.92464
Topological Polar Surface Area	25.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	167
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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