3-Chloro-o-anisidine - CAS 51114-68-2

Catalog:	BB027330
Product Name:	3-Chloro-o-anisidine
CAS:	51114-68-2
Synonyms:	3-chloro-2-methoxyaniline

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Computed Properties

IUPAC Name:	3-chloro-2-methoxyaniline
Description:	3-Chloro-o-anisidine (CAS# 51114-68-2) is a useful research chemical compound.
Molecular Weight:	157.60
Molecular Formula:	C7H8ClNO
Canonical SMILES:	COC1=C(C=CC=C1Cl)N
InChI:	InChI=1S/C7H8ClNO/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,9H2,1H3
InChI Key:	VPZJHTWLWKFPQW-UHFFFAOYSA-N
Boiling Point:	162.4 ℃ at 760 mmHg
Density:	1.555 g/cm³
MDL:	MFCD00060607
LogP:	2.51200

Publication Number	Title	Priority Date
JP-2021134343-A	A reactive mixture containing a plurality of reactive components and a polymer having an aryl ether ketone structure obtained from this mixture.	20200227
WO-2020232375-A1	Oxoacridinyl acetic acid derivatives and methods of use	20190516
WO-2020232378-A1	Benzo[b][1,8]naphthyridine acetic acid derivatives and methods of use	20190516
WO-2020216773-A1	4h-pyrrolo[3,2-c]pyridin-4-one compounds	20190424
WO-2020216774-A1	4h-pyrrolo[3,2-c]pyridin-4-one derivatives	20190424

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GHS Hazard Statement:	H315 (97.5%): 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:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.0294416
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	157.0294416
Rotatable Bond Count:	1
Topological Polar Surface Area:	35.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8