CS-0610141
3-Ethynyl-5-nitrobenzoic acid
Manufacturer: ChemScene
CAS Number: 1639866-71-9
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₉H₅NO₄
Molecular Weight
191.14
Synonyms
None
SMILES
O=C(O)C1=CC([N+]([O-])=O)=CC(C#C)=C1
Tpsa
80.44
Logp
1.2743
H Acceptors
3
H Donors
1
Rotatable Bonds
2
Related Products
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₅NO₄
Molecular Weight: 191.14
Synonyms: None
SMILES: O=C(O)C1=CC([N+]([O-])=O)=CC(C#C)=C1
Tpsa: 80.44
Logp: 1.2743
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₅NO₄
Molecular Weight:
191.14
Synonyms:
None
SMILES:
O=C(O)C1=CC([N+]([O-])=O)=CC(C#C)=C1
Tpsa:
80.44
Logp:
1.2743
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₆O₃
Molecular Weight: 174.15
Synonyms: None
SMILES: O=C(O)C(C1=CC=C(C#C)C=C1)=O
Tpsa: 54.37
Logp: 0.9352
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₆O₃
Molecular Weight:
174.15
Synonyms:
None
SMILES:
O=C(O)C(C1=CC=C(C#C)C=C1)=O
Tpsa:
54.37
Logp:
0.9352
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₃BrClF
Molecular Weight: 233.46
Synonyms: None
SMILES: FC1=C(Cl)C(Br)=CC=C1C#C
Tpsa: 0
Logp: 3.2229
H Acceptors: 0
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₃BrClF
Molecular Weight:
233.46
Synonyms:
None
SMILES:
FC1=C(Cl)C(Br)=CC=C1C#C
Tpsa:
0
Logp:
3.2229
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₀O
Molecular Weight: 146.19
Synonyms: None
SMILES: CC1=CC=C(OC)C=C1C#C
Tpsa: 9.23
Logp: 1.98492
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₀O
Molecular Weight:
146.19
Synonyms:
None
SMILES:
CC1=CC=C(OC)C=C1C#C
Tpsa:
9.23
Logp:
1.98492
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
1