Name: Name:Benzaldehyde, 4-amino-5-chloro-2-methoxy-
Brand: Angene
SKU: AG001DD1
Rating: 90 (10 reviews)

Benzaldehyde, 4-amino-5-chloro-2-methoxy-

CAS No.:

145742-50-3

Catalog Number:

AG001DD1

Molecular Formula:

C8H8ClNO2

Molecular Weight:

185.6076

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Product Description

Catalog Number:

AG001DD1

Chemical Name:

Benzaldehyde, 4-amino-5-chloro-2-methoxy-

CAS Number:

145742-50-3

Molecular Formula:

C8H8ClNO2

Molecular Weight:

185.6076

MDL Number:

MFCD24645097

IUPAC Name:

4-amino-5-chloro-2-methoxybenzaldehyde

InChI:

InChI=1S/C8H8ClNO2/c1-12-8-3-7(10)6(9)2-5(8)4-11/h2-4H,10H2,1H3

InChI Key:

FRPLOCDKNDMVOD-UHFFFAOYSA-N

SMILES:

COc1cc(N)c(cc1C=O)Cl

Properties

Complexity:

165

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

185.024g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

185.607g/mol

Monoisotopic Mass:

185.024g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

Literature

Title	Journal
Synthesis and structure-activity relationships of 4-amino-5-chloro-N-(1,4-dialkylhexahydro-1,4-diazepin-6-yl)-2-methoxybenzamide derivatives, novel and potent serotonin 5-HT3 and dopamine D2 receptors dual antagonist.	Chemical & pharmaceutical bulletin 20020701