CS-0657114
2-Chloro-6-(1-cyanocyclopropyl)benzoic acid
Manufacturer: ChemScene
CAS Number: 2053643-33-5
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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
C₁₁H₈ClNO₂
Molecular Weight
221.64
Synonyms
None
SMILES
O=C(O)C1=C(C2(C#N)CC2)C=CC=C1Cl
Tpsa
61.09
Logp
2.59338
H Acceptors
2
H Donors
1
Rotatable Bonds
2
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: C₁₁H₈ClNO₂
Molecular Weight: 221.64
Synonyms: None
SMILES: O=C(O)C1=C(C2(C#N)CC2)C=CC=C1Cl
Tpsa: 61.09
Logp: 2.59338
H Acceptors: 2
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:
C₁₁H₈ClNO₂
Molecular Weight:
221.64
Synonyms:
None
SMILES:
O=C(O)C1=C(C2(C#N)CC2)C=CC=C1Cl
Tpsa:
61.09
Logp:
2.59338
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD30829687
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₇ClINO
Molecular Weight: 413.68
Synonyms: None
SMILES: CC(C)(C)NC(=O)C1=CC(=CC(=C1)C2=CC=C(C=C2)Cl)I
Tpsa: 29.1
Logp: 5.1399
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD30829687
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₇ClINO
Molecular Weight:
413.68
Synonyms:
None
SMILES:
CC(C)(C)NC(=O)C1=CC(=CC(=C1)C2=CC=C(C=C2)Cl)I
Tpsa:
29.1
Logp:
5.1399
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD30829686
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₉ClN₂O
Molecular Weight: 302.80
Synonyms: None
SMILES: CC(C)(C)NC(=O)C1=CC(=CC(=C1)C2=CC=C(C=C2)Cl)N
Tpsa: 55.12
Logp: 4.1175
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD30829686
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₉ClN₂O
Molecular Weight:
302.80
Synonyms:
None
SMILES:
CC(C)(C)NC(=O)C1=CC(=CC(=C1)C2=CC=C(C=C2)Cl)N
Tpsa:
55.12
Logp:
4.1175
H Acceptors:
2
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: C₁₇H₁₈O₂
Molecular Weight: 254.32
Synonyms: None
SMILES: COC1=CC(=C(C=C1)OCC2=CC=CC=C2)CC=C
Tpsa: 18.46
Logp: 4.0027
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₈O₂
Molecular Weight:
254.32
Synonyms:
None
SMILES:
COC1=CC(=C(C=C1)OCC2=CC=CC=C2)CC=C
Tpsa:
18.46
Logp:
4.0027
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
6