CS-0645328
α-Methyl-α-(1-methylethyl)-2-nitrobenzenepropanoic acid
Manufacturer: ChemScene
CAS Number: 1558524-97-2
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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
C₁₃H₁₇NO₄
Molecular Weight
251.28
Synonyms
None
SMILES
CC(C(O)=O)(CC1=CC=CC=C1[N+]([O-])=O)C(C)C
Tpsa
80.44
Logp
2.8842
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: C₁₃H₁₇NO₄
Molecular Weight: 251.28
Synonyms: None
SMILES: CC(C(O)=O)(CC1=CC=CC=C1[N+]([O-])=O)C(C)C
Tpsa: 80.44
Logp: 2.8842
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:
C₁₃H₁₇NO₄
Molecular Weight:
251.28
Synonyms:
None
SMILES:
CC(C(O)=O)(CC1=CC=CC=C1[N+]([O-])=O)C(C)C
Tpsa:
80.44
Logp:
2.8842
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: C₁₄H₁₈FNO₃
Molecular Weight: 267.30
Synonyms: None
SMILES: O=C(N1CC2=C(C(F)=CC(O)=C2)CC1)OC(C)(C)C
Tpsa: 49.77
Logp: 2.8245
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:
C₁₄H₁₈FNO₃
Molecular Weight:
267.30
Synonyms:
None
SMILES:
O=C(N1CC2=C(C(F)=CC(O)=C2)CC1)OC(C)(C)C
Tpsa:
49.77
Logp:
2.8245
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: C₂₀H₂₉BFNO₄
Molecular Weight: 377.26
Synonyms: None
SMILES: O=C(N1CC2=C(C=C(F)C(B3OC(C)(C)C(C)(C)O3)=C2)CC1)OC(C)(C)C
Tpsa: 48
Logp: 3.4181
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₉BFNO₄
Molecular Weight:
377.26
Synonyms:
None
SMILES:
O=C(N1CC2=C(C=C(F)C(B3OC(C)(C)C(C)(C)O3)=C2)CC1)OC(C)(C)C
Tpsa:
48
Logp:
3.4181
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₂F₃NO
Molecular Weight: 219.20
Synonyms: None
SMILES: NCC1=CC=C(O[C@H](C)C(F)(F)F)C=C1
Tpsa: 35.25
Logp: 2.4749
H Acceptors: 2
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:
C₁₀H₁₂F₃NO
Molecular Weight:
219.20
Synonyms:
None
SMILES:
NCC1=CC=C(O[C@H](C)C(F)(F)F)C=C1
Tpsa:
35.25
Logp:
2.4749
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3