CS-0764910
3-Chloro-2-cyano-benzoic acid ethyl ester
Manufacturer: ChemScene
CAS Number: 127510-92-3
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₀H₈ClNO₂
Molecular Weight
209.63
Synonyms
None
SMILES
CCOC(=O)C1=C(C#N)C(Cl)=CC=C1
Tpsa
50.09
Logp
2.38838
H Acceptors
3
H Donors
0
Rotatable Bonds
2
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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: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₈ClNO₂
Molecular Weight: 209.63
Synonyms: None
SMILES: CCOC(=O)C1=C(C#N)C(Cl)=CC=C1
Tpsa: 50.09
Logp: 2.38838
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₈ClNO₂
Molecular Weight:
209.63
Synonyms:
None
SMILES:
CCOC(=O)C1=C(C#N)C(Cl)=CC=C1
Tpsa:
50.09
Logp:
2.38838
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
2
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₂BrClN₂
Molecular Weight: 275.57
Synonyms: None
SMILES: ClC1=CC(Br)=CC=C1N1CCNCC1
Tpsa: 15.27
Logp: 2.5121
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 1
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₂BrClN₂
Molecular Weight:
275.57
Synonyms:
None
SMILES:
ClC1=CC(Br)=CC=C1N1CCNCC1
Tpsa:
15.27
Logp:
2.5121
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₇NO₂
Molecular Weight: 267.32
Synonyms: None
SMILES: COC(=O)[C@@H]1CC2=C(C=CC=C2)N1CC1=CC=CC=C1
Tpsa: 29.54
Logp: 2.7909
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 3
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₇NO₂
Molecular Weight:
267.32
Synonyms:
None
SMILES:
COC(=O)[C@@H]1CC2=C(C=CC=C2)N1CC1=CC=CC=C1
Tpsa:
29.54
Logp:
2.7909
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
3
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₂N₆O₂
Molecular Weight: 284.27
Synonyms: None
SMILES: NC1=NC(N)=C2NC(CC3=CC=C4OCOC4=C3)=NC2=N1
Tpsa: 124.96
Logp: 0.8368
H Acceptors: 7
H Donors: 3
Rotatable Bonds: 2
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₂N₆O₂
Molecular Weight:
284.27
Synonyms:
None
SMILES:
NC1=NC(N)=C2NC(CC3=CC=C4OCOC4=C3)=NC2=N1
Tpsa:
124.96
Logp:
0.8368
H Acceptors:
7
H Donors:
3
Rotatable Bonds:
2