CS-0560666
1-(4-Bromobenzyl)-1H-pyrrole-3-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1509818-20-5
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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
C₁₂H₁₀BrNO₂
Molecular Weight
280.12
Synonyms
1-[(4-bromophenyl)methyl]-1h-pyrrole-3-carboxylic acid
SMILES
C1=CC(=CC=C1CN2C=CC(=C2)C(=O)O)Br
Tpsa
42.23
Logp
2.9971
H Acceptors
2
H Donors
1
Rotatable Bonds
3
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: C₁₂H₁₀BrNO₂
Molecular Weight: 280.12
Synonyms: 1-[(4-bromophenyl)methyl]-1h-pyrrole-3-carboxylic acid
SMILES: C1=CC(=CC=C1CN2C=CC(=C2)C(=O)O)Br
Tpsa: 42.23
Logp: 2.9971
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:
C₁₂H₁₀BrNO₂
Molecular Weight:
280.12
Synonyms:
1-[(4-bromophenyl)methyl]-1h-pyrrole-3-carboxylic acid
SMILES:
C1=CC(=CC=C1CN2C=CC(=C2)C(=O)O)Br
Tpsa:
42.23
Logp:
2.9971
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: C₁₂H₁₅BrFN
Molecular Weight: 272.16
Synonyms: None
SMILES: FC1=CC(Br)=CC(CNCC2CCC2)=C1
Tpsa: 12.03
Logp: 3.4779
H Acceptors: 1
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:
C₁₂H₁₅BrFN
Molecular Weight:
272.16
Synonyms:
None
SMILES:
FC1=CC(Br)=CC(CNCC2CCC2)=C1
Tpsa:
12.03
Logp:
3.4779
H Acceptors:
1
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: C₁₃H₁₃NO₃
Molecular Weight: 231.25
Synonyms: None
SMILES: COC1=CC=CC=C1CN2C=CC(=C2)C(=O)O
Tpsa: 51.46
Logp: 2.2432
H Acceptors: 3
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:
C₁₃H₁₃NO₃
Molecular Weight:
231.25
Synonyms:
None
SMILES:
COC1=CC=CC=C1CN2C=CC(=C2)C(=O)O
Tpsa:
51.46
Logp:
2.2432
H Acceptors:
3
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: C₁₃H₁₀N₂O₂
Molecular Weight: 226.23
Synonyms: 1-[(2-cyanophenyl)methyl]-1h-pyrrole-3-carboxylic acid
SMILES: C1=CC=C(C(=C1)CN2C=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-[(2-cyanophenyl)methyl]-1h-pyrrole-3-carboxylic acid
SMILES:
C1=CC=C(C(=C1)CN2C=CC(=C2)C(=O)O)C#N
Tpsa:
66.02
Logp:
2.10628
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3