CS-1002732
4-(2-Chloroethyl)-α,α-dimethylbenzeneacetic acid
Manufacturer: ChemScene
CAS Number: 2199440-16-7
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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
C₁₂H₁₅ClO₂
Molecular Weight
226.70
Synonyms
None
SMILES
O=C(O)C(C1=CC=C(C=C1)CCCl)(C)C
Tpsa
37.3
Logp
2.8301
H Acceptors
1
H Donors
1
Rotatable Bonds
4
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: C₁₂H₁₅ClO₂
Molecular Weight: 226.70
Synonyms: None
SMILES: O=C(O)C(C1=CC=C(C=C1)CCCl)(C)C
Tpsa: 37.3
Logp: 2.8301
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₅ClO₂
Molecular Weight:
226.70
Synonyms:
None
SMILES:
O=C(O)C(C1=CC=C(C=C1)CCCl)(C)C
Tpsa:
37.3
Logp:
2.8301
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
4
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₉NO₂
Molecular Weight: 151.16
Synonyms: None
SMILES: O=CC=1NC(=C(C=O)C1C)C
Tpsa: 49.93
Logp: 1.25654
H Acceptors: 2
H Donors: 1
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:
C₈H₉NO₂
Molecular Weight:
151.16
Synonyms:
None
SMILES:
O=CC=1NC(=C(C=O)C1C)C
Tpsa:
49.93
Logp:
1.25654
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: C₁₈H₁₆F₄N₂O₅S
Molecular Weight: 448.39
Synonyms: None
SMILES: O=C(N)C1=CC=C(C=C1C(F)(F)F)NC(=O)C(O)(C)CS(=O)(=O)C2=CC=C(F)C=C2
Tpsa: 126.56
Logp: 2.1068
H Acceptors: 5
H Donors: 3
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:
C₁₈H₁₆F₄N₂O₅S
Molecular Weight:
448.39
Synonyms:
None
SMILES:
O=C(N)C1=CC=C(C=C1C(F)(F)F)NC(=O)C(O)(C)CS(=O)(=O)C2=CC=C(F)C=C2
Tpsa:
126.56
Logp:
2.1068
H Acceptors:
5
H Donors:
3
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: C₁₁H₂₁BrO₂
Molecular Weight: 265.19
Synonyms: None
SMILES: C([C@@H](CCC)CBr)C(OC(C)(C)C)=O
Tpsa: 26.3
Logp: 3.5294
H Acceptors: 2
H Donors: 0
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:
C₁₁H₂₁BrO₂
Molecular Weight:
265.19
Synonyms:
None
SMILES:
C([C@@H](CCC)CBr)C(OC(C)(C)C)=O
Tpsa:
26.3
Logp:
3.5294
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
5