CS-0882608
2-Bromo-5-(methoxycarbonyl)isonicotinic acid
Manufacturer: ChemScene
CAS Number: 2091063-85-1
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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
C₈H₆BrNO₄
Molecular Weight
260.04
Synonyms
None
SMILES
O=C(C1=C(C(O)=O)C=C(Br)N=C1)OC
Tpsa
76.49
Logp
1.3289
H Acceptors
4
H Donors
1
Rotatable Bonds
2
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SAFETY INFORMATION
Pictograms
Signal Word
Danger
UN Number
2811
Class
6.1
Packing Group
Ⅲ
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-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: C₈H₆BrNO₄
Molecular Weight: 260.04
Synonyms: None
SMILES: O=C(C1=C(C(O)=O)C=C(Br)N=C1)OC
Tpsa: 76.49
Logp: 1.3289
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₆BrNO₄
Molecular Weight:
260.04
Synonyms:
None
SMILES:
O=C(C1=C(C(O)=O)C=C(Br)N=C1)OC
Tpsa:
76.49
Logp:
1.3289
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₃BrF₂N₂S
Molecular Weight: 265.08
Synonyms: None
SMILES: NC1=NC2=CC(Br)=C(F)C(F)=C2S1
Tpsa: 38.91
Logp: 2.9192
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₃BrF₂N₂S
Molecular Weight:
265.08
Synonyms:
None
SMILES:
NC1=NC2=CC(Br)=C(F)C(F)=C2S1
Tpsa:
38.91
Logp:
2.9192
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₈N₂O₄
Molecular Weight: 196.16
Synonyms: None
SMILES: O=C(C1=NC=C(C(OC)=O)C=C1N)O
Tpsa: 102.51
Logp: 0.1486
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₈N₂O₄
Molecular Weight:
196.16
Synonyms:
None
SMILES:
O=C(C1=NC=C(C(OC)=O)C=C1N)O
Tpsa:
102.51
Logp:
0.1486
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₉NO₅
Molecular Weight: 211.17
Synonyms: None
SMILES: O=C(C1=NC=C(C(OC)=O)C=C1OC)O
Tpsa: 85.72
Logp: 0.575
H Acceptors: 5
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:
C₉H₉NO₅
Molecular Weight:
211.17
Synonyms:
None
SMILES:
O=C(C1=NC=C(C(OC)=O)C=C1OC)O
Tpsa:
85.72
Logp:
0.575
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3