CS-0560682
1-(2-Chloro-6-fluorobenzyl)-1H-pyrrole-3-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1500987-02-9
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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
C₁₂H₉ClFNO₂
Molecular Weight
253.66
Synonyms
1-[(2-Chloro-6-fluorophenyl)methyl]-1H-pyrrole-3-carboxylic Acid
SMILES
C1=CC(=C(C(=C1)Cl)CN2C=CC(=C2)C(=O)O)F
Tpsa
42.23
Logp
3.0271
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: C₁₂H₉ClFNO₂
Molecular Weight: 253.66
Synonyms: 1-[(2-Chloro-6-fluorophenyl)methyl]-1H-pyrrole-3-carboxylic Acid
SMILES: C1=CC(=C(C(=C1)Cl)CN2C=CC(=C2)C(=O)O)F
Tpsa: 42.23
Logp: 3.0271
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:
C₁₂H₉ClFNO₂
Molecular Weight:
253.66
Synonyms:
1-[(2-Chloro-6-fluorophenyl)methyl]-1H-pyrrole-3-carboxylic Acid
SMILES:
C1=CC(=C(C(=C1)Cl)CN2C=CC(=C2)C(=O)O)F
Tpsa:
42.23
Logp:
3.0271
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: 1-[(3,4-dimethylphenyl)methyl]-1h-pyrrole-3-carboxylic acid
SMILES: O=C(C1=CN(CC2=CC=C(C)C(C)=C2)C=C1)O
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:
1-[(3,4-dimethylphenyl)methyl]-1h-pyrrole-3-carboxylic acid
SMILES:
O=C(C1=CN(CC2=CC=C(C)C(C)=C2)C=C1)O
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: C₁₂H₁₀ClNO₂
Molecular Weight: 235.67
Synonyms: 1-[(3-chlorophenyl)methyl]-1h-pyrrole-3-carboxylic acid
SMILES: C1=CC(=CC(=C1)Cl)CN2C=CC(=C2)C(=O)O
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-[(3-chlorophenyl)methyl]-1h-pyrrole-3-carboxylic acid
SMILES:
C1=CC(=CC(=C1)Cl)CN2C=CC(=C2)C(=O)O
Tpsa:
42.23
Logp:
2.888
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₅N₃O₃
Molecular Weight: 261.28
Synonyms: None
SMILES: CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)OC)N
Tpsa: 79.37
Logp: 1.6398
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₅N₃O₃
Molecular Weight:
261.28
Synonyms:
None
SMILES:
CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)OC)N
Tpsa:
79.37
Logp:
1.6398
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
4