CAS
16208-21-2 Purity
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16208-21-2 Purity
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![3,3-Dimethyl-2-[2-[2-chloro-3-[2-[1,3-dihydro-3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)-2H-indol-2-ylidene]ethylidene]-1-cyclohexen-1-yl]ethenyl]-5-sulfo-1-(4-sulfobutyl)-3H-indolium inner salt trisodium](https://resource.alfa-chemistry.com/structure/162093-39-2.gif)
![Sodium 4-(2-(2-(2-chloro-3-(2-(1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indol-2(3H)-ylidene)ethylidene)cyclopent-1-enyl)vinyl)-1,1-dimethyl-1H-benzo[e]indolium-3-yl)butane-1-sulfonate](https://resource.alfa-chemistry.com/structure/162093-45-0.gif)
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4-(1H-Pyrazol-1-yl)benzoic acid
CAS
16209-00-0
Catalog Number
ACM16209000
Category
Other Products
Molecular Weight
188.18g/mol
Molecular Formula
C10H8N2O2
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Specification
IUPAC Name
4-pyrazol-1-ylbenzoic acid
Canonical SMILES
C1=CN(N=C1)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C10H8N2O2/c13-10(14)8-2-4-9(5-3-8)12-7-1-6-11-12/h1-7H,(H,13,14)
InChI Key
XOEKYPIBVOGCDG-UHFFFAOYSA-N
Complexity
212
Covalently-Bonded Unit Count
1
Exact Mass
188.058578g/mol
Formal Charge
0
H-Bond Acceptor
3
H-Bond Donor
1
Heavy Atom Count
14
Monoisotopic Mass
188.058578g/mol
Rotatable Bond Count
2
XLogP3
1.7
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