Name: Name:(2E)-3-{5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid
Brand: Angene
SKU: AG01EM26
Rating: 90 (10 reviews)

(2E)-3-{5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid

CAS No.:

956713-73-8

Catalog Number:

AG01EM26

Molecular Formula:

C14H11Cl3N2O2

Molecular Weight:

345.6083

Catalog Number:

AG01EM26

Chemical Name:

(2E)-3-{5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid

CAS Number:

956713-73-8

Molecular Formula:

C14H11Cl3N2O2

Molecular Weight:

345.6083

MDL Number:

MFCD05262949

IUPAC Name:

(E)-3-[5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]prop-2-enoic acid

InChI:

InChI=1S/C14H11Cl3N2O2/c1-8-9(5-6-13(20)21)14(17)19(18-8)7-10-11(15)3-2-4-12(10)16/h2-6H,7H2,1H3,(H,20,21)/b6-5+

InChI Key:

NVEBATPMKXCMFC-AATRIKPKSA-N

SMILES:

OC(=O)/C=C/c1c(C)nn(c1Cl)Cc1c(Cl)cccc1Cl

Complexity:

398

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

343.989g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

345.604g/mol

Monoisotopic Mass:

343.989g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4