926212-84-2
4-(4-BROMO-1H-PYRAZOL-1-YL)BENZOIC ACID
Name
4-(4-BROMO-1H-PYRAZOL-1-YL)BENZOIC ACID
Formula
C10 H7 Br N2 O2
MolWeight
267.081
1Identification
【Name】
4-(4-BROMO-1H-PYRAZOL-1-YL)BENZOIC ACID
【CAS】
【MDL】
MFCD05855520
【English Synonyms】
【Formula】
C10 H7 Br N2 O2
【MolWeight】
267.081
【Inchi】
InChI=1S/C10H7BrN2O2/c11-8-5-12-13(6-8)9-3-1-7(2-4-9)10(14)15/h1-6H,(H,14,15)
【InChIKey】
InChIKey=WAAQQRWNTQPCCV-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1C(=O)O)n2cc(cn2)Br
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(4-BROMO-1H-PYRAZOL-1-YL)BENZOIC ACID.cml
Quick Release
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