| CAS Number: 64401-55-4 ethyl 5-amino-2-chlorobenzoate |
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| General Information | ||||||
| Product Number: 64401554
CAS Registry Number: 64401-55-4
Name:
Benzoic acid, 5-amino-2-chloro-, ethyl ester
5-Amino-2-chlorobenzoic acid ethyl ester; Ethyl 3-amino-6-chlorobenzoate; Ethyl 5-amino-2-chlorobenzoate
Chemical Formula: C9H10ClNO2
Exact Mass: 199.04
Molecular Weight: 199.63
m/z: 199.04 (100.0%), 201.04 (32.4%), 200.04 (10.2%), 202.04 (3.2%)
Elemental Analysis: C, 54.15; H, 5.05; Cl, 17.76; N, 7.02; O, 16.03
InChI: InChI=1S/C9H10ClNO2/c1-2-13-9(12)7-5-6(11)3-4-8(7)10/h3-5H,2,11H2,1H3
InChIKey: OCMMZRKNONEJAO-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(C=CC(=C1)N)Cl
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Specification |
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98% |
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| References | ||||||
(1)Deng, Jing; Journal of Medicinal Chemistry 2011, V54(13), P4508-4522 CAPLUS |
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