2,3-Dichloroanisole

CAT: 0127-BUP13723-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP13723-01Size:50 mg

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CAS Number

1984-59-4

Purity

=98%

Smiles

COc1cccc(Cl)c1Cl

Chemical Information

2,3-Dichloroanisole

CAS Number	1984-59-4
PubChem CID	16126
IUPAC Name	1,2-dichloro-3-methoxybenzene
Molecular Formula	C7H6Cl2O
Molecular Weight	177.02
XLogP	2.9
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	108

SMILES

COC1=C(C(=CC=C1)Cl)Cl

InChI

InChI=1S/C7H6Cl2O/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3

InChIKey

HFEASCCDHUVYKU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1984-59-4

CID: 16126

Formula: C7H6Cl2O

MW: 177.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	177.02
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	175.9795702
Monoisotopic Mass	175.9795702
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	108
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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