Name: Name:3-tert-butyl-4-(chloromethylidene)-1-phenyl-4,5-dihydro-1H-pyrazol-5-one
Brand: Angene
SKU: AG01A2Z1
Rating: 90 (10 reviews)

3-tert-butyl-4-(chloromethylidene)-1-phenyl-4,5-dihydro-1H-pyrazol-5-one

CAS No.:

1423037-11-9

Catalog Number:

AG01A2Z1

Molecular Formula:

C14H15ClN2O

Molecular Weight:

262.7347

Catalog Number:

AG01A2Z1

Chemical Name:

3-tert-butyl-4-(chloromethylidene)-1-phenyl-4,5-dihydro-1H-pyrazol-5-one

CAS Number:

1423037-11-9

Molecular Formula:

C14H15ClN2O

Molecular Weight:

262.7347

MDL Number:

MFCD22628426

IUPAC Name:

5-tert-butyl-4-(chloromethylidene)-2-phenylpyrazol-3-one

InChI:

InChI=1S/C14H15ClN2O/c1-14(2,3)12-11(9-15)13(18)17(16-12)10-7-5-4-6-8-10/h4-9H,1-3H3

InChI Key:

BMRIJZWSHNNJQT-UHFFFAOYSA-N

SMILES:

ClC=C1C(=O)N(N=C1C(C)(C)C)c1ccccc1

Complexity:

401

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

262.087g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

262.737g/mol

Monoisotopic Mass:

262.087g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

32.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6