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2-Bromobenzamidine Hydrochloride

2-Bromobenzamidine Hydrochloride - CAS 57075-82-8

Catalog:	BB029576
Product Name:	2-Bromobenzamidine Hydrochloride
CAS:	57075-82-8
Synonyms:	2-bromobenzenecarboximidamide;hydrochloride; 2-bromobenzenecarboximidamide;hydrochloride

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Computed Properties

IUPAC Name:	2-bromobenzenecarboximidamide;hydrochloride
Description:	2-Bromobenzamidine Hydrochloride (CAS# 57075-82-8) is a useful research chemical.
Molecular Weight:	235.51
Molecular Formula:	C7H8BrClN2
Canonical SMILES:	C1=CC=C(C(=C1)C(=N)N)Br.Cl
InChI:	InChI=1S/C7H7BrN2.ClH/c8-6-4-2-1-3-5(6)7(9)10;/h1-4H,(H3,9,10);1H
InChI Key:	RRULRSLJNLFGNK-UHFFFAOYSA-N
Boiling Point:	272.9 °C at 760 mmHg
MDL:	MFCD04114438
LogP:	3.33520

Publication Number	Title	Priority Date
CN-112062788-A	Organic electroluminescent material and device	20190610
EP-3750897-A1	Organic electroluminescent materials and devices	20190610
US-2020295277-A1	Organic electroluminescent materials and devices	20181212
WO-2020106751-A1	Inhinitors of gli1 as therapeutic agents	20181119
EP-3883932-A1	Inhibitors of gli1 as therapeutic agents	20181119

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GHS Hazard Statement:	H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	233.95594
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	233.95594
Rotatable Bond Count:	1
Topological Polar Surface Area:	49.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0