Methyl 3-Amino-4-chlorobenzoate - CAS 40872-87-5

Catalog:	BB024699
Product Name:	Methyl 3-Amino-4-chlorobenzoate
CAS:	40872-87-5
Synonyms:	3-amino-4-chlorobenzoic acid methyl ester; methyl 3-amino-4-chlorobenzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 3-amino-4-chlorobenzoate
Description:	Methyl 3-Amino-4-chlorobenzoate (CAS# 40872-87-5) is a useful research chemical.
Molecular Weight:	185.61
Molecular Formula:	C8H8ClNO2
Canonical SMILES:	COC(=O)C1=CC(=C(C=C1)Cl)N
InChI:	InChI=1S/C8H8ClNO2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,10H2,1H3
InChI Key:	LOCJPOYKBUUVKU-UHFFFAOYSA-N
Boiling Point:	292.1 °C at 760 mmHg
Density:	1.311 g/cm³
MDL:	MFCD03470533
LogP:	2.29000

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
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:	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:	2.1