Methyl 2-Amino-3-chlorobenzoate - CAS 77820-58-7

Catalog:	BB036047
Product Name:	Methyl 2-Amino-3-chlorobenzoate
CAS:	77820-58-7
Synonyms:	2-amino-3-chlorobenzoic acid methyl ester; methyl 2-amino-3-chlorobenzoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 2-amino-3-chlorobenzoate
Description:	Methyl 2-Amino-3-chlorobenzoate (CAS# 77820-58-7) is a useful research chemical.
Molecular Weight:	185.61
Molecular Formula:	C8H8ClNO2
Canonical SMILES:	COC(=O)C1=C(C(=CC=C1)Cl)N
InChI:	InChI=1S/C8H8ClNO2/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4H,10H2,1H3
InChI Key:	MSXSZFYRADEEJA-UHFFFAOYSA-N
Boiling Point:	273.803 °C at 760 mmHg
Density:	1.311 g/cm³
Appearance:	Dry powder
MDL:	MFCD06797833
LogP:	2.29000

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, P391, and P501
Signal Word:	Warning

Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.0243562
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	185.0243562
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5