4-Bromoindane - CAS 6134-53-8

Catalog:	BB031063
Product Name:	4-Bromoindane
CAS:	6134-53-8
Synonyms:	4-bromo-2,3-dihydro-1H-indene; 4-bromo-2,3-dihydro-1H-indene

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-2,3-dihydro-1H-indene
Description:	4-Bromoindane (CAS# 6134-53-8) is a useful research chemical.
Molecular Weight:	197.07
Molecular Formula:	C9H9Br
Canonical SMILES:	C1CC2=C(C1)C(=CC=C2)Br
InChI:	InChI=1S/C9H9Br/c10-9-6-2-4-7-3-1-5-8(7)9/h2,4,6H,1,3,5H2
InChI Key:	JCQMGSFTMQWFPE-UHFFFAOYSA-N
LogP:	2.93780

Publication Number	Title	Priority Date
WO-2021097110-A1	Therapeutic compounds and methods of use	20191113
WO-2021058018-A1	Inhibitors of kras g12c	20190929
WO-2021047553-A1	Aromatic heterocyclic compound having tricyclic structure, and preparation method therefor and application thereof	20190909
WO-2021047555-A1	Preparation of aromatic heterocyclic derivative as immunomodulator and application thereof	20190909
WO-2021041671-A1	Kras g12d inhibitors	20190829

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.98876
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	195.98876
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4