1-Acetyl-4-bromo-1H-indazole - CAS 885698-70-4

Catalog:	BB039012
Product Name:	1-Acetyl-4-bromo-1H-indazole
CAS:	885698-70-4
Synonyms:	1-(4-bromo-1-indazolyl)ethanone; 1-(4-bromoindazol-1-yl)ethanone

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Computed Properties

IUPAC Name:	1-(4-bromoindazol-1-yl)ethanone
Description:	1-Acetyl-4-bromo-1H-indazole (CAS# 885698-70-4) is a useful research chemical.
Molecular Weight:	239.07
Molecular Formula:	C9H7BrN2O
Canonical SMILES:	CC(=O)N1C2=C(C=N1)C(=CC=C2)Br
InChI:	InChI=1S/C9H7BrN2O/c1-6(13)12-9-4-2-3-8(10)7(9)5-11-12/h2-5H,1H3
InChI Key:	MZBRBDKGAIDUPD-UHFFFAOYSA-N
LogP:	2.45890

Publication Number	Title	Priority Date
EP-2890698-A1	Dioxino- and oxazin-[2,3-d]pyrimidine pi3k inhibitor compounds and methods of use	20120830
EP-2890698-B1	Dioxino- and oxazin-[2,3-d]pyrimidine pi3k inhibitor compounds and methods of use	20120830
JP-2015526492-A	Dioxino- and oxazine- [2,3-D] pyrimidine PI3K inhibitor compounds and methods of use	20120830
JP-6022691-B2	Dioxino- and oxazine- [2,3-D] pyrimidine PI3K inhibitor compounds and methods of use	20120830
KR-101697444-B1	Dioxino- and oxazin-[2,3-d]pyrimidine pi3k inhibitor compounds and methods of use	20120830

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Related Functional Groups

Indazoles

[1341035-91-3]
Ethyl 3-iodo-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
[1956318-62-9]
3-Amino-5-[(3,5-difluorophenyl)difluoromethyl]-1H-indazole
[43120-28-1]
Methyl 1H-indazole-3-carboxylate
[807287-45-2]
3-(Chloromethyl)-4,5,6,7-tetrahydro-1H-indazole
[886230-77-9]
(E)-6-Iodo-3-[2-(pyridin-2-yl)vinyl]-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
[5401-94-5]
5-Nitroindazole

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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:	222
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	237.97418
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	237.97418
Rotatable Bond Count:	0
Topological Polar Surface Area:	34.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1