2,5-Dichlorotoluene

CAT: 0127-OR1084Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

19398-61-9

Synonyms

1,4-Dichloro-2-methylbenzene

MDL Number

MFCD00000609

Purity

=95%

Smiles

Cc1cc(Cl)ccc1Cl

Chemical Information

2,5-Dichlorotoluene

CAS Number	19398-61-9
PubChem CID	29572
IUPAC Name	1,4-dichloro-2-methylbenzene
Molecular Formula	C7H6Cl2
Molecular Weight	161.03
XLogP	4.1
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	92

SMILES

CC1=C(C=CC(=C1)Cl)Cl

InChI

InChI=1S/C7H6Cl2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3

InChIKey

KFAKZJUYBOYVKA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19398-61-9

CID: 29572

Formula: C7H6Cl2

MW: 161.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	161.03
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	159.9846556
Monoisotopic Mass	159.9846556
Topological Polar Surface Area	0 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	92.9
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