2-Amino-4,5-dichlorobenzoic Acid - CAS 20776-61-8

Catalog:	BB016282
Product Name:	2-Amino-4,5-dichlorobenzoic Acid
CAS:	20776-61-8
Synonyms:	2-amino-4,5-dichlorobenzoic acid; 2-amino-4,5-dichlorobenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	2-amino-4,5-dichlorobenzoic acid
Description:	2-Amino-4,5-dichlorobenzoic Acid (CAS# 20776-61-8) is a useful research chemical.
Molecular Weight:	206.03
Molecular Formula:	C7H5Cl2NO2
Canonical SMILES:	C1=C(C(=CC(=C1Cl)Cl)N)C(=O)O
InChI:	InChI=1S/C7H5Cl2NO2/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,10H2,(H,11,12)
InChI Key:	MQWFRBVVABTUKS-UHFFFAOYSA-N
Boiling Point:	390.99 °C at 760 mmHg
Density:	1.608 g/cm³
MDL:	MFCD08457795
LogP:	2.85500

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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:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.9697338
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	204.9697338
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6