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Structure

5-Chloro-1,3-dimethoxybenzene

CAS
7051-16-3
Catalog Number
ACM-MO-7051163
Category
Ethers; Dendrimer Building Blocks
Molecular Weight
172.61 g/mol
Molecular Formula
C8H9ClO2

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Specification

Synonyms
1-chloro-3,5-dimethoxybenzene
IUPAC Name
1-chloro-3,5-dimethoxybenzene
Canonical SMILES
COC1=CC(=CC(=C1)Cl)OC
InChI
InChI=1S/C8H9ClO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3
InChI Key
WQHNWJBSROXROL-UHFFFAOYSA-N
Boiling Point
238.5 °C
Melting Point
34-36 °C
Appearance
White to Yellow or Pink Crystalline Powder
Complexity
107
Covalently-Bonded Unit Count
1
EC Number
230-330-2
Exact Mass
172.029107g/mol
Formal Charge
0
Hazard Statements
H315-H319-H335
H-Bond Acceptor
2
H-Bond Donor
0
Heavy Atom Count
11
Monoisotopic Mass
172.029107g/mol
NSC Number
220095
Refractive Index
1.5100 (estimate)
RIDADR
UN 3265 8 / PGII
Rotatable Bond Count
2
Specific Gravity
1.155
Symbol
GHS07
XLogP3
3.1
What is the molecular formula of the compound?

The molecular formula is C8H9ClO2.

What is the molecular weight of the compound?

The molecular weight is 172.61 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 1-chloro-3,5-dimethoxybenzene.

What is the InChI of the compound?

The InChI is InChI=1S/C8H9ClO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3.

What is the InChIKey of the compound?

The InChIKey is WQHNWJBSROXROL-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is COC1=CC(=CC(=C1)Cl)OC.

What is the CAS number of the compound?

The CAS number is 7051-16-3.

What is the EC number of the compound?

The EC number is 230-330-2.

What is the UNII of the compound?

The UNII is GA9MV2ME3L.

Is the compound considered canonicalized?

Yes, the compound is considered canonicalized.

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