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108282-38-8 | 4-Amino-5-chloro-2-ethoxybenzoic acid
CAS No: 108282-38-8 Catalog No: AG003B7P MDL No:MFCD03840527
Product Description
Catalog Number:
AG003B7P
Chemical Name:
4-Amino-5-chloro-2-ethoxybenzoic acid
CAS Number:
108282-38-8
Molecular Formula:
C9H10ClNO3
Molecular Weight:
215.6336
MDL Number:
MFCD03840527
IUPAC Name:
4-amino-5-chloro-2-ethoxybenzoic acid
InChI:
InChI=1S/C9H10ClNO3/c1-2-14-8-4-7(11)6(10)3-5(8)9(12)13/h3-4H,2,11H2,1H3,(H,12,13)
InChI Key:
XWGYOMHQGQZRLC-UHFFFAOYSA-N
SMILES:
CCOc1cc(N)c(cc1C(=O)O)Cl
EC Number:
600-861-8
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.633g/mol
Monoisotopic Mass:
215.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| 3-[(4-Amino-5-chloro-2-ethoxy-benz-amido)meth-yl]pyrrolo[2,1-c][1,4]oxazin-5-ium chloride monohydrate. | Acta crystallographica. Section E, Structure reports online 20090101 |
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