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925420-28-6
G-1
Name
G-1
Formula
C21 H18 Br N O3
MolWeight
412.281
1Identification
【Name】
G-1
【CAS】
【MDL】
MFCD16618392
【English Synonyms】
【Formula】
C21 H18 Br N O3
【MolWeight】
412.281
【Inchi】
InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1
【InChIKey】
InChIKey=VHSVKVWHYFBIFJ-HKZYLEAXSA-N
【SMILES】
CC(=O)c1ccc2c(c1)[C@@H]3C=CC[C@@H]3[C@@H](N2)c4cc5c(cc4Br)OCO5
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
G-1.cml
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