767320-59-2
4-(2-(AMINOCARBONYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
Name4-(2-(AMINOCARBONYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
1Identification
【Name】
4-(2-(AMINOCARBONYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
【CAS】
【MDL】
MFCD05154440
【English Synonyms】
【Formula】
C15 H12 Br N3 O3
【MolWeight】
362.182
【Inchi】
InChI=1S/C15H12BrN3O3/c16-13-4-2-1-3-12(13)14(20)22-11-7-5-10(6-8-11)9-18-19-15(17)21/h1-9H,(H3,17,19,21)/b18-9+
【InChIKey】
InChIKey=RXIBZZJKXJGCRR-GIJQJNRQSA-N
【SMILES】
c1ccc(c(c1)C(=O)Oc2ccc(cc2)/C=N/NC(=O)N)Br
【MOL File】
4-(2-(AMINOCARBONYL)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-(AMINOCARBONYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE.cml