51032-23-6
N-(7-BROMOMETHYL-5-METHYL-3-ADAMANTYLCARBONYL)ANTHRANILIC ACID
NameN-(7-BROMOMETHYL-5-METHYL-3-ADAMANTYLCARBONYL)ANTHRANILIC ACID
1Identification
【Name】
N-(7-BROMOMETHYL-5-METHYL-3-ADAMANTYLCARBONYL)ANTHRANILIC ACID
【CAS】
【MDL】
MFCD01675109
【English Synonyms】
【Formula】
C20 H24 Br N O3
【MolWeight】
406.318
【Inchi】
InChI=1S/C20H24BrNO3/c1-18-6-13-7-19(9-18,12-21)11-20(8-13,10-18)17(25)22-15-5-3-2-4-14(15)16(23)24/h2-5,13H,6-12H2,1H3,(H,22,25)(H,23,24)/t13-,18+,19+,20-/m0/s1
【InChIKey】
InChIKey=CYVIYFFJHIHWIR-HAEOHBJNSA-N
【SMILES】
C[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)C(=O)Nc4ccccc4C(=O)O)CBr
【MOL File】
N-(7-BROMOMETHYL-5-M….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(7-BROMOMETHYL-5-METHYL-3-ADAMANTYLCARBONYL)ANTHRANILIC ACID.cml