4-Bromo-1-indanol - CAS 16657-10-6

Catalog:	BB012295
Product Name:	4-Bromo-1-indanol
CAS:	16657-10-6
Synonyms:	4-bromo-2,3-dihydro-1H-inden-1-ol

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-2,3-dihydro-1H-inden-1-ol
Description:	4-Bromo-1-indanol (CAS# 16657-10-6) is a useful research chemical.
Molecular Weight:	213.07
Molecular Formula:	C9H9BrO
Canonical SMILES:	C1CC2=C(C1O)C=CC=C2Br
InChI:	InChI=1S/C9H9BrO/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3,9,11H,4-5H2
InChI Key:	RNXQQZNOSYBFTN-UHFFFAOYSA-N
Appearance:	Solid
MDL:	MFCD11219497
LogP:	2.42870

Publication Number	Title	Priority Date
WO-2021158481-A1	Substituted 1,1'-biphenyl compounds and methods using same	20200203
CN-112812113-A	Immunomodulatory compounds, compositions and uses thereof	20191115
WO-2021093817-A1	Immunomodulatory compounds, composition and application thereof	20191115
US-2021106588-A1	Bicyclic heterocycles as fgfr inhibitors	20191014
WO-2021076602-A1	Bicyclic heterocycles as fgfr inhibitors	20191014

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	211.98368
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	211.98368
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2