4-Chloro-4'-isopropyl-butyrophenone - CAS 70289-38-2

Name: 4-Chloro-4'-isopropyl-butyrophenone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB069768
Product Name:	4-Chloro-4'-isopropyl-butyrophenone
CAS:	70289-38-2
Synonyms:	4-Chloro-4'-isopropylbutyrophenone; 4-chloro-1-(4-isopropylphenyl)butan-1-one; 4-chloro-1-(4-propan-2-ylphenyl)butan-1-one; 4-CHLORO-1-[4-(1-METHYLETHYL)PHENYL]-1-BUTANONE; 1-Butanone, 4-chloro-1-[4-(1-methylethyl)phenyl]-; 1-BUTANONE, 4-CHLORO-1-(4-(1-METHYLETHYL)PHENYL)-

Technical Data

IUPAC Name:	4-chloro-1-(4-propan-2-ylphenyl)butan-1-one
Description:	4-Chloro-4'-isopropyl-butyrophenone (cas# 70289-38-2) is a useful research chemical.
Molecular Weight:	224.72
Molecular Formula:	C13H17OCl
Canonical SMILES:	CC(C)C1=CC=C(C=C1)C(=O)CCCCl
InChI:	InChI=1S/C13H17ClO/c1-10(2)11-5-7-12(8-6-11)13(15)4-3-9-14/h5-8,10H,3-4,9H2,1-2H3
InChI Key:	BGOQEVLEIPPQID-UHFFFAOYSA-N

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, and P501
Signal Word:	Warning

Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.0967929
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	224.0967929
Rotatable Bond Count:	5
Topological Polar Surface Area:	17.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.9