主记录
Carboxyamidotriazole
- CAS
- 99519-84-3
- PubChem CID
- 108144
- SMILES
- C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2Cl)CN3C(=C(N=N3)C(=O)N)N)Cl)Cl
- 分子式
- C17H12Cl3N5O2
- 分子量
- 424.675
- 精确分子量
- 423.0057
- InChI
- InChI=1S/C17H12Cl3N5O2/c18-10-3-1-9(2-4-10)15(26)13-11(19)5-8(6-12(13)20)7-25-16(21)14(17(22)27)23-24-25/h1-6H,7,21H2,(H2,22,27)
- InChIKey
- WNRZHQBJSXRYJK-UHFFFAOYSA-N
- LogP
- 3.1987
- TPSA
- 116.89
名称与别名
- Carboxyamidotriazole
- 99519-84-3
- Carboxyamido-triazole
- Carboxiamidotriazol
- 4-CAI
- 5-amino-1-(3,5-dichloro-4-(4-chlorobenzoyl)benzyl)-1H-1,2,3-triazole-4-carboxamide
- 6ST3ZF52WB
- C17H12Cl3N5O2
- UNII-6ST3ZF52WB
- NSC-609974
- RefChem:123656
- MLS003373924
- Carboxyamidotriazole (CAI)
- D05IIP
- AC1Q5G1W
- CCRIS 9404
- NCIStruc1_001699
- NCIStruc2_001836
- L-651582
- L651582
- NSC609974
- SCHEMBL18866
- MLS006010700
- CHEMBL95431
- NSC 609974
- DTXSID40244108
- Carboxyamidotriazole (Standard)
- L-651,582
- AC1L33F8
- cid_108144