CAS 1201-99-6 | 2-Propenoic acid, 3-(2,4-dichlorophenyl)- | CAS Number 1201-99-6

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1201-99-6 | 2-Propenoic acid, 3-(2,4-dichlorophenyl)-

CAS No: 1201-99-6 Catalog No: AG000QAQ MDL No:MFCD00004373

Product Description

Catalog Number:

AG000QAQ

Chemical Name:

2-Propenoic acid, 3-(2,4-dichlorophenyl)-

CAS Number:

1201-99-6

Molecular Formula:

C9H6Cl2O2

Molecular Weight:

217.0487

MDL Number:

MFCD00004373

IUPAC Name:

(E)-3-(2,4-dichlorophenyl)prop-2-enoic acid

InChI:

InChI=1S/C9H6Cl2O2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+

InChI Key:

MEBWABJHRAYGFW-DUXPYHPUSA-N

SMILES:

OC(=O)C=Cc1ccc(cc1Cl)Cl

EC Number:

214-860-1

UNII:

C09KK5D2T2

Properties

Complexity:

216

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

215.974g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

217.045g/mol

Monoisotopic Mass:

215.974g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Aspects of the photodimerization mechanism of 2,4-dichlorocinnamic acid studied by kinetic photocrystallography.	The journal of physical chemistry. A 20060309