3039-55-2 - Angene

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2-Propen-1-ol, 3,3-dichloro-

CAS No.:

3039-55-2

Catalog Number:

AG002ZYW

Molecular Formula:

C3H4Cl2O

Molecular Weight:

126.9693

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Product Description

Catalog Number:

AG002ZYW

Chemical Name:

2-Propen-1-ol, 3,3-dichloro-

CAS Number:

3039-55-2

Molecular Formula:

C3H4Cl2O

Molecular Weight:

126.9693

MDL Number:

MFCD19300769

IUPAC Name:

3,3-dichloroprop-2-en-1-ol

InChI:

InChI=1S/C3H4Cl2O/c4-3(5)1-2-6/h1,6H,2H2

InChI Key:

KJEGVVJINLACNZ-UHFFFAOYSA-N

SMILES:

OCC=C(Cl)Cl

NSC Number:

27140

Properties

Complexity:

55.8

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

1

Defined Atom Stereocenter Count:

0

Defined Bond Stereocenter Count:

0

Exact Mass:

125.964g/mol

Formal Charge:

0

Heavy Atom Count:

6

Hydrogen Bond Acceptor Count:

1

Hydrogen Bond Donor Count:

1

Isotope Atom Count:

0

Molecular Weight:

126.964g/mol

Monoisotopic Mass:

125.964g/mol

Rotatable Bond Count:

1

Topological Polar Surface Area:

20.2A^2

Undefined Atom Stereocenter Count:

0

Undefined Bond Stereocenter Count:

0

XLogP3:

1.3

Literature

Title	Journal
Design, synthesis, insecticidal activity and structure-activity relationship of 3,3-dichloro-2-propenyloxy-containing phthalic acid diamide structures.	Pest management science 20120701
The discovery of pyridalyl: a novel insecticidal agent for controlling lepidopterous pests.	Pest management science 20040101