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Home > Aldehydes > 145742-50-3
145742-50-3 | Benzaldehyde, 4-amino-5-chloro-2-methoxy-
CAS No: 145742-50-3 Catalog No: AG001DD1 MDL No:MFCD24645097
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:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.024g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.607g/mol
Monoisotopic Mass:
185.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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 |
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