1-Chloro-4-phenyl-3-butyn-2-one - CAS 176648-09-2

Name: 1-Chloro-4-phenyl-3-butyn-2-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB013237
Product Name:	1-Chloro-4-phenyl-3-butyn-2-one
CAS:	176648-09-2
Synonyms:	1-chloro-4-phenyl-3-butyn-2-one; 1-chloro-4-phenylbut-3-yn-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	1-chloro-4-phenylbut-3-yn-2-one
Description:	1-Chloro-4-phenyl-3-butyn-2-one (CAS# 176648-09-2) is an intermediate used in reactions with organometallic reagents.
Molecular Weight:	178.61
Molecular Formula:	C10H7ClO
Canonical SMILES:	C1=CC=C(C=C1)C#CC(=O)CCl
InChI:	InChI=1S/C10H7ClO/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-5H,8H2
InChI Key:	GAOISFBPSVUIIA-UHFFFAOYSA-N
LogP:	1.84600

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

Publication Number	Title	Priority Date
EP-1741693-A1	Process for production of optically active alcohols	20040329
EP-1741693-B1	Process for production of optically active alcohols	20040329
US-2007225528-A1	Process for Producing Optically Active Alcohol	20040329
US-2005272036-A1	Ketones	20020727
AU-6948200-A	Heterocyclic compounds and methods of use thereof	19990831

Complexity:	215
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.0185425
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	178.0185425
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8