CS-0560674
1-(2-Chlorobenzyl)-1H-pyrrole-3-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1506517-99-2
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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
C₁₂H₁₀ClNO₂
Molecular Weight
235.67
Synonyms
1-[(2-chlorophenyl)methyl]-1h-pyrrole-3-carboxylic acid
SMILES
C1=CC=C(C(=C1)CN2C=CC(=C2)C(=O)O)Cl
Tpsa
42.23
Logp
2.888
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: C₁₂H₁₀ClNO₂
Molecular Weight: 235.67
Synonyms: 1-[(2-chlorophenyl)methyl]-1h-pyrrole-3-carboxylic acid
SMILES: C1=CC=C(C(=C1)CN2C=CC(=C2)C(=O)O)Cl
Tpsa: 42.23
Logp: 2.888
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:
C₁₂H₁₀ClNO₂
Molecular Weight:
235.67
Synonyms:
1-[(2-chlorophenyl)methyl]-1h-pyrrole-3-carboxylic acid
SMILES:
C1=CC=C(C(=C1)CN2C=CC(=C2)C(=O)O)Cl
Tpsa:
42.23
Logp:
2.888
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: C₁₁H₁₆N₂O₃
Molecular Weight: 224.26
Synonyms: 1-{[(butan-2-yl)carbamoyl]methyl}-1h-pyrrole-3-carboxylic acid
SMILES: CCC(C)NC(=O)CN1C=CC(=C1)C(=O)O
Tpsa: 71.33
Logp: 1.101
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₆N₂O₃
Molecular Weight:
224.26
Synonyms:
1-{[(butan-2-yl)carbamoyl]methyl}-1h-pyrrole-3-carboxylic acid
SMILES:
CCC(C)NC(=O)CN1C=CC(=C1)C(=O)O
Tpsa:
71.33
Logp:
1.101
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₀N₂O₂
Molecular Weight: 226.23
Synonyms: 1-[(4-cyanophenyl)methyl]-1h-pyrrole-3-carboxylic acid
SMILES: C1=CC(=CC=C1CN2C=CC(=C2)C(=O)O)C#N
Tpsa: 66.02
Logp: 2.10628
H Acceptors: 3
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:
C₁₃H₁₀N₂O₂
Molecular Weight:
226.23
Synonyms:
1-[(4-cyanophenyl)methyl]-1h-pyrrole-3-carboxylic acid
SMILES:
C1=CC(=CC=C1CN2C=CC(=C2)C(=O)O)C#N
Tpsa:
66.02
Logp:
2.10628
H Acceptors:
3
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: C₁₂H₉BrFNO₂
Molecular Weight: 298.11
Synonyms: None
SMILES: C1=CN(C(=C1)C(=O)O)CC2=CC(=C(C=C2)F)Br
Tpsa: 42.23
Logp: 3.1362
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:
C₁₂H₉BrFNO₂
Molecular Weight:
298.11
Synonyms:
None
SMILES:
C1=CN(C(=C1)C(=O)O)CC2=CC(=C(C=C2)F)Br
Tpsa:
42.23
Logp:
3.1362
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3