CS-0255243
2-Benzylisoindoline-5-carboxylic acid
Manufacturer: ChemScene
CAS Number: 164648-51-5
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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
C₁₆H₁₅NO₂
Molecular Weight
253.30
Synonyms
None
SMILES
O=C(C1=CC2=C(CN(CC3=CC=CC=C3)C2)C=C1)O
Tpsa
40.54
Logp
2.9006
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
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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: C₁₆H₁₅NO₂
Molecular Weight: 253.30
Synonyms: None
SMILES: O=C(C1=CC2=C(CN(CC3=CC=CC=C3)C2)C=C1)O
Tpsa: 40.54
Logp: 2.9006
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:
C₁₆H₁₅NO₂
Molecular Weight:
253.30
Synonyms:
None
SMILES:
O=C(C1=CC2=C(CN(CC3=CC=CC=C3)C2)C=C1)O
Tpsa:
40.54
Logp:
2.9006
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: C₁₁H₁₂BrF₃N₂O
Molecular Weight: 325.12
Synonyms: None
SMILES: CC(C)(C)C(NC1=NC=C(Br)C(C(F)(F)F)=C1)=O
Tpsa: 41.99
Logp: 3.8475
H Acceptors: 2
H Donors: 1
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:
C₁₁H₁₂BrF₃N₂O
Molecular Weight:
325.12
Synonyms:
None
SMILES:
CC(C)(C)C(NC1=NC=C(Br)C(C(F)(F)F)=C1)=O
Tpsa:
41.99
Logp:
3.8475
H Acceptors:
2
H Donors:
1
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: C₁₇H₂₀N₂O₃
Molecular Weight: 300.35
Synonyms: None
SMILES: N#C[C@@]1(C2CC2)[C@@H](CN(C1=O)CC3=CC=C(C=C3)OC)CO
Tpsa: 73.56
Logp: 1.56588
H Acceptors: 4
H Donors: 1
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:
C₁₇H₂₀N₂O₃
Molecular Weight:
300.35
Synonyms:
None
SMILES:
N#C[C@@]1(C2CC2)[C@@H](CN(C1=O)CC3=CC=C(C=C3)OC)CO
Tpsa:
73.56
Logp:
1.56588
H Acceptors:
4
H Donors:
1
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: C₁₀H₁₃BrO₂
Molecular Weight: 245.11
Synonyms: None
SMILES: COC1=C(CC)C=C(Br)C(OC)=C1
Tpsa: 18.46
Logp: 3.0287
H Acceptors: 2
H Donors: 0
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:
C₁₀H₁₃BrO₂
Molecular Weight:
245.11
Synonyms:
None
SMILES:
COC1=C(CC)C=C(Br)C(OC)=C1
Tpsa:
18.46
Logp:
3.0287
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
3