CS-0645245
α-(1-Methylethyl)-2-nitrobenzenepropanoic acid
Manufacturer: ChemScene
CAS Number: 1281200-16-5
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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
C₁₂H₁₅NO₄
Molecular Weight
237.25
Synonyms
None
SMILES
O=C(C(C(C)C)CC1=C(N(=O)=O)C=CC=C1)O
Tpsa
80.44
Logp
2.4941
H Acceptors
3
H Donors
1
Rotatable Bonds
5
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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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₅NO₄
Molecular Weight: 237.25
Synonyms: None
SMILES: O=C(C(C(C)C)CC1=C(N(=O)=O)C=CC=C1)O
Tpsa: 80.44
Logp: 2.4941
H Acceptors: 3
H Donors: 1
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:
C₁₂H₁₅NO₄
Molecular Weight:
237.25
Synonyms:
None
SMILES:
O=C(C(C(C)C)CC1=C(N(=O)=O)C=CC=C1)O
Tpsa:
80.44
Logp:
2.4941
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₁N₃
Molecular Weight: 185.23
Synonyms: None
SMILES: NC(C1=NC=CC=C1)C2=NC=CC=C2
Tpsa: 51.8
Logp: 1.5247
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₁N₃
Molecular Weight:
185.23
Synonyms:
None
SMILES:
NC(C1=NC=CC=C1)C2=NC=CC=C2
Tpsa:
51.8
Logp:
1.5247
H Acceptors:
3
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: C₂₃H₁₄ClN₃O₄S
Molecular Weight: 463.89
Synonyms: None
SMILES: O=C(N1N=C(C2OC3=CC=CC=C3OC2)N=C1S/4)C4=C/C5=CC=C(C6=CC=C(Cl)C=C6)O5
Tpsa: 78.86
Logp: 4.1246
H Acceptors: 8
H Donors: 0
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:
C₂₃H₁₄ClN₃O₄S
Molecular Weight:
463.89
Synonyms:
None
SMILES:
O=C(N1N=C(C2OC3=CC=CC=C3OC2)N=C1S/4)C4=C/C5=CC=C(C6=CC=C(Cl)C=C6)O5
Tpsa:
78.86
Logp:
4.1246
H Acceptors:
8
H Donors:
0
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: C₁₂H₁₅ClO₂
Molecular Weight: 226.70
Synonyms: None
SMILES: ClC1=CC=CC=C1CC(CC)(C(O)=O)C
Tpsa: 37.3
Logp: 3.3834
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:
ClC1=CC=CC=C1CC(CC)(C(O)=O)C
Tpsa:
37.3
Logp:
3.3834
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
4