54002-27-6
4-NITRO-3-ACETYLAMINOBENZOIC ACID
Name
4-NITRO-3-ACETYLAMINOBENZOIC ACID
Formula
C9 H8 N2 O5
MolWeight
224.171
1Identification
【Name】
4-NITRO-3-ACETYLAMINOBENZOIC ACID
【CAS】
【MDL】
MFCD03424347
【English Synonyms】
【Formula】
C9 H8 N2 O5
【MolWeight】
224.171
【Inchi】
InChI=1S/C9H8N2O5/c1-5(12)10-7-4-6(9(13)14)2-3-8(7)11(15)16/h2-4H,1H3,(H,10,12)(H,13,14)
【InChIKey】
InChIKey=HCRXJQUTVJMSIK-UHFFFAOYSA-N
【SMILES】
CC(=O)Nc1cc(ccc1[N+](=O)[O-])C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-NITRO-3-ACETYLAMINOBENZOIC ACID.cml
Quick Release
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