101420-81-9
3-BROMO-4-NITROBENZOIC ACID
Name
3-BROMO-4-NITROBENZOIC ACID
Formula
C7 H4 Br N O4
MolWeight
246.016
1Identification
【Name】
3-BROMO-4-NITROBENZOIC ACID
【CAS】
【MDL】
MFCD04117949
【English Synonyms】
【Formula】
C7 H4 Br N O4
【MolWeight】
246.016
【Inchi】
InChI=1S/C7H4BrNO4/c8-5-3-4(7(10)11)1-2-6(5)9(12)13/h1-3H,(H,10,11)
【InChIKey】
InChIKey=KKPPNEJUUOQRLE-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1C(=O)O)Br)[N+](=O)[O-]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
ALFA AESAR, AVOCADO, LANCASTER :3-BROMO-4-NITROBENZOIC ACID
4CML File
3-BROMO-4-NITROBENZOIC ACID.cml
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