1,3-Dichloropropene

CAT: 0024-sc-237723Size: 100 gDry Ice: NoHazardous: No

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CAT#:0024-sc-237723Size:100 g

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CAS Number

542-75-6

Chemical Information

1,3-Dichloropropene

1,3-Dichloropropene can cause cancer according to an independent committee of scientific and health experts.

CAS Number	542-75-6
PubChem CID	24883
IUPAC Name	1,3-dichloroprop-1-ene
Molecular Formula	C3H4Cl2
Molecular Weight	110.97
XLogP	1.7
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Heavy Atom Count	5
Formal Charge	0
Complexity	31

SMILES

C(C=CCl)Cl

InChI

InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2

InChIKey

UOORRWUZONOOLO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 542-75-6

CID: 24883

Formula: C3H4Cl2

MW: 110.97

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	110.97
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	109.9690055
Monoisotopic Mass	109.9690055
Topological Polar Surface Area	0 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	31.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-P32922-01	1,3-Dichloropropene
TRC-C269680-10G	cis-1,3-Dichloropropene
AR-P32933-01	(E) -1,3-Dichloropropene
FD31019-01	Trans-1,3-Dichloropropene
AR-P32923-01	1,3-Dichloropropene-d4
AR-P32927-01	(Z) -1,3-Dichloropropene
OR1076673	3,3-Dichloropropene
OR1076674-01	1,1-Dichloropropene
TRC-D436510-2.5G	1,3-Dichloropropene (E/Z Mixture)
D16890-01	1,3-Dichloropropene mixture of isomers 92%