51488-22-3
2-氯-4-(三氟甲基)苯基异氰酸酯
Name
2-氯-4-(三氟甲基)苯基异氰酸酯
pro_formula
C8 H3 Cl F3 N O
pro_molWeight
221.565
1Identification
【Name】
2-氯-4-(三氟甲基)苯基异氰酸酯
【CAS】
【MDL】
MFCD01863685
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C8 H3 Cl F3 N O
【pro_molWeight】
221.565
【Inchi】
InChI=1S/C8H3ClF3NO/c9-6-3-5(8(10,11)12)1-2-7(6)13-4-14/h1-3H
【InChIKey】
InChIKey=NEURYOYRKPFLKH-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1C(F)(F)F)Cl)N=C=O
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:2
XLogP3:4.0
Bulk/Fine:FB
3MaterialMSDS
【secure_infosecure_symbol】
【secure_signal_word】
【secure_risk_stmt】
【secure_cautionary_stmt】
【secure_damage_code】
【secure_risk_disclosure_stmt】
【secure_security_stmt】
【secure_wgk_germany】
3
4CMLFile
2-氯-4-(三氟甲基)苯基异氰酸酯.cml
quick_release
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