1-(4-Bromophenyl)-2-propyn-1-ol - CAS 85020-75-3

Catalog:	BB037410
Product Name:	1-(4-Bromophenyl)-2-propyn-1-ol
CAS:	85020-75-3
Synonyms:	1-(4-bromophenyl)-2-propyn-1-ol; 1-(4-bromophenyl)prop-2-yn-1-ol

Technical Data

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Computed Properties

IUPAC Name:	1-(4-bromophenyl)prop-2-yn-1-ol
Description:	1-(4-Bromophenyl)-2-propyn-1-ol (CAS# 85020-75-3 ) is a useful research chemical.
Molecular Weight:	211.06
Molecular Formula:	C9H7BrO
Canonical SMILES:	C#CC(C1=CC=C(C=C1)Br)O
InChI:	InChI=1S/C9H7BrO/c1-2-9(11)7-3-5-8(10)6-4-7/h1,3-6,9,11H
InChI Key:	WQHBAYPEOODGEA-UHFFFAOYSA-N
LogP:	2.11570

Publication Number	Title	Priority Date
CN-112979610-A	Diacetylene diol compound, and synthetic method and application thereof	20210305
WO-2020132269-A1	Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (usp1) inhibitors	20181220
TW-202039501-A	Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (usp1) inhibitors	20181220
US-2021115049-A1	Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (usp1) inhibitors	20181220
CN-113164485-A	Substituted pyrazolopyrimidines and substituted purines and their use as inhibitors of ubiquitin-specific processing protease 1(USP1)	20181220

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Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.96803
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	209.96803
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2