CS-0563044
3-((2,5-Dimethyl-1H-pyrrol-1-yl)methyl)benzoic acid
Manufacturer: ChemScene
CAS Number: 884001-35-8
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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
C₁₄H₁₅NO₂
Molecular Weight
229.27
Synonyms
3-[(2,5-Dimethyl-1H-pyrrol-1-yl)methyl]benzoic acid
SMILES
CC1=CC=C(N1CC2=CC(=CC=C2)C(=O)O)C
Tpsa
42.23
Logp
2.85144
H Acceptors
2
H Donors
1
Rotatable Bonds
3
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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: C₁₄H₁₅NO₂
Molecular Weight: 229.27
Synonyms: 3-[(2,5-Dimethyl-1H-pyrrol-1-yl)methyl]benzoic acid
SMILES: CC1=CC=C(N1CC2=CC(=CC=C2)C(=O)O)C
Tpsa: 42.23
Logp: 2.85144
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₅NO₂
Molecular Weight:
229.27
Synonyms:
3-[(2,5-Dimethyl-1H-pyrrol-1-yl)methyl]benzoic acid
SMILES:
CC1=CC=C(N1CC2=CC(=CC=C2)C(=O)O)C
Tpsa:
42.23
Logp:
2.85144
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₉N₃O₄S
Molecular Weight: 219.22
Synonyms: 2,5-dimethyl-4-sulfamoylpyrazole-3-carboxylic acid
SMILES: CC1=NN(C(=C1S(=O)(=O)N)C(=O)O)C
Tpsa: 115.28
Logp: -0.92588
H Acceptors: 5
H Donors: 2
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:
C₆H₉N₃O₄S
Molecular Weight:
219.22
Synonyms:
2,5-dimethyl-4-sulfamoylpyrazole-3-carboxylic acid
SMILES:
CC1=NN(C(=C1S(=O)(=O)N)C(=O)O)C
Tpsa:
115.28
Logp:
-0.92588
H Acceptors:
5
H Donors:
2
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: C₁₁H₁₄INO
Molecular Weight: 303.14
Synonyms: None
SMILES: O=C(NC=1C=CC=CC1C(C)C)CI
Tpsa: 29.1
Logp: 3.1835
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₄INO
Molecular Weight:
303.14
Synonyms:
None
SMILES:
O=C(NC=1C=CC=CC1C(C)C)CI
Tpsa:
29.1
Logp:
3.1835
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₆ClF₆NOS
Molecular Weight: 385.71
Synonyms: None
SMILES: C1=CC(=C(C=C1NC(=O)CSC2=C(C(=C(C(=C2F)F)F)F)F)Cl)F
Tpsa: 29.1
Logp: 4.9054
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₆ClF₆NOS
Molecular Weight:
385.71
Synonyms:
None
SMILES:
C1=CC(=C(C=C1NC(=O)CSC2=C(C(=C(C(=C2F)F)F)F)F)Cl)F
Tpsa:
29.1
Logp:
4.9054
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
4