CS-1174935
6-Bromo-5-chloro-1H-indole-3-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1781367-71-2
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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
C₉H₅BrClNO₂
Molecular Weight
274.50
Synonyms
None
SMILES
O=C(C1=CNC2=C1C=C(Cl)C(Br)=C2)O
Tpsa
53.09
Logp
3.282
H Acceptors
1
H Donors
2
Rotatable Bonds
1
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: C₉H₅BrClNO₂
Molecular Weight: 274.50
Synonyms: None
SMILES: O=C(C1=CNC2=C1C=C(Cl)C(Br)=C2)O
Tpsa: 53.09
Logp: 3.282
H Acceptors: 1
H Donors: 2
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:
C₉H₅BrClNO₂
Molecular Weight:
274.50
Synonyms:
None
SMILES:
O=C(C1=CNC2=C1C=C(Cl)C(Br)=C2)O
Tpsa:
53.09
Logp:
3.282
H Acceptors:
1
H Donors:
2
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₂H₃₅N₅O₇S
Molecular Weight: 633.71
Synonyms: Upadacitinib Impurity 24
SMILES: O=C(OCC1=CC=CC=C1)N2C[C@H](CC)[C@H](C(CN(C3=CN=C4C(C=CN4S(C5=CC=C(C)C=C5)(=O)=O)=N3)C(OCC)=O)=O)C2
Tpsa: 141
Logp: 4.80352
H Acceptors: 10
H Donors: 0
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₃₅N₅O₇S
Molecular Weight:
633.71
Synonyms:
Upadacitinib Impurity 24
SMILES:
O=C(OCC1=CC=CC=C1)N2C[C@H](CC)[C@H](C(CN(C3=CN=C4C(C=CN4S(C5=CC=C(C)C=C5)(=O)=O)=N3)C(OCC)=O)=O)C2
Tpsa:
141
Logp:
4.80352
H Acceptors:
10
H Donors:
0
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₂H₃₅N₅O₇S
Molecular Weight: 633.71
Synonyms: None
SMILES: O=S(N1C2=NC=C(N(C(OCC)=O)CC([C@H]3[C@@H](CN(C3)C(OCC4=CC=CC=C4)=O)CC)=O)N=C2C=C1)(C5=CC=C(C=C5)C)=O
Tpsa: 141
Logp: 4.80352
H Acceptors: 10
H Donors: 0
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₃₅N₅O₇S
Molecular Weight:
633.71
Synonyms:
None
SMILES:
O=S(N1C2=NC=C(N(C(OCC)=O)CC([C@H]3[C@@H](CN(C3)C(OCC4=CC=CC=C4)=O)CC)=O)N=C2C=C1)(C5=CC=C(C=C5)C)=O
Tpsa:
141
Logp:
4.80352
H Acceptors:
10
H Donors:
0
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: 4°C, protect from light, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₁₈I₃NO₃
Molecular Weight: 689.06
Synonyms: None
SMILES: IC1=C(OC2=CC=C(O)C(I)=C2)C(I)=CC(CC(N3CCCCC3)=O)=C1
Tpsa: 49.77
Logp: 5.5533
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₁₈I₃NO₃
Molecular Weight:
689.06
Synonyms:
None
SMILES:
IC1=C(OC2=CC=C(O)C(I)=C2)C(I)=CC(CC(N3CCCCC3)=O)=C1
Tpsa:
49.77
Logp:
5.5533
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
4