Name: Name:(2E)-3-(1-butyl-5-chloro-3-methyl-1H-pyrazol-4-yl)prop-2-enoic acid
Brand: Angene
SKU: AG01EM29
Rating: 90 (10 reviews)

(2E)-3-(1-butyl-5-chloro-3-methyl-1H-pyrazol-4-yl)prop-2-enoic acid

CAS No.:

956369-98-5

Catalog Number:

AG01EM29

Molecular Formula:

C11H15ClN2O2

Molecular Weight:

242.7020

Catalog Number:

AG01EM29

Chemical Name:

(2E)-3-(1-butyl-5-chloro-3-methyl-1H-pyrazol-4-yl)prop-2-enoic acid

CAS Number:

956369-98-5

Molecular Formula:

C11H15ClN2O2

Molecular Weight:

242.7020

MDL Number:

MFCD06688760

IUPAC Name:

(E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoic acid

InChI:

InChI=1S/C11H15ClN2O2/c1-3-4-7-14-11(12)9(8(2)13-14)5-6-10(15)16/h5-6H,3-4,7H2,1-2H3,(H,15,16)/b6-5+

InChI Key:

MWVDONPTZBRDPV-AATRIKPKSA-N

SMILES:

CCCCn1nc(c(c1Cl)/C=C/C(=O)O)C

Complexity:

271

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

242.082g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

242.703g/mol

Monoisotopic Mass:

242.082g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7