3-Amino-5-bromo-1H-indazole - CAS 61272-71-7

Name: 3-Amino-5-bromo-1H-indazole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB031035
Product Name:	3-Amino-5-bromo-1H-indazole
CAS:	61272-71-7
Synonyms:	5-bromo-1H-indazol-3-amine; 5-bromo-1H-indazol-3-amine

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-1H-indazol-3-amine
Description:	3-Amino-5-bromo-1H-indazole (CAS# 61272-71-7) is a useful research chemical.
Molecular Weight:	212.05
Molecular Formula:	C7H6BrN3
Canonical SMILES:	C1=CC2=C(C=C1Br)C(=NN2)N
InChI:	InChI=1S/C7H6BrN3/c8-4-1-2-6-5(3-4)7(9)11-10-6/h1-3H,(H3,9,10,11)
InChI Key:	OMPYFDJVSAMSMA-UHFFFAOYSA-N
Boiling Point:	431.3 °C at 760 mmHg
Density:	1.867 g/cm³
MDL:	MFCD03426696
LogP:	2.48880

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H301 (29.01%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

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Complexity:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.97451
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	210.97451
Rotatable Bond Count:	0
Topological Polar Surface Area:	54.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9