CS-1012556
tert-Butyl 3-amino-2,6-difluoro-5-methylbenzoate
Manufacturer: ChemScene
CAS Number: 2248313-08-6
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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
C₁₂H₁₅F₂NO₂
Molecular Weight
243.25
Synonyms
None
SMILES
O=C(OC(C)(C)C)C=1C(F)=C(N)C=C(C1F)C
Tpsa
52.32
Logp
2.81072
H Acceptors
3
H Donors
1
Rotatable Bonds
1
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: C₁₂H₁₅F₂NO₂
Molecular Weight: 243.25
Synonyms: None
SMILES: O=C(OC(C)(C)C)C=1C(F)=C(N)C=C(C1F)C
Tpsa: 52.32
Logp: 2.81072
H Acceptors: 3
H Donors: 1
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:
C₁₂H₁₅F₂NO₂
Molecular Weight:
243.25
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)C=1C(F)=C(N)C=C(C1F)C
Tpsa:
52.32
Logp:
2.81072
H Acceptors:
3
H Donors:
1
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: C₉H₉NNa₂O₆S
Molecular Weight: 305.22
Synonyms: None
SMILES: O=S(OC1=CC=C(C=C1)C[C@H](N)C(O[Na])=O)(O[Na])=O
Tpsa: 104.92
Logp: -1.0932
H Acceptors: 7
H Donors: 1
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:
C₉H₉NNa₂O₆S
Molecular Weight:
305.22
Synonyms:
None
SMILES:
O=S(OC1=CC=C(C=C1)C[C@H](N)C(O[Na])=O)(O[Na])=O
Tpsa:
104.92
Logp:
-1.0932
H Acceptors:
7
H Donors:
1
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: C₂₉H₅₃NO₇
Molecular Weight: 527.73
Synonyms: None
SMILES: CC(C)(C)OC(CCCCCCCCCCCCCCC(N[C@@H](CCC(O)=O)C(OC(C)(C)C)=O)=O)=O
Tpsa: 119
Logp: 6.4808
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 20
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₅₃NO₇
Molecular Weight:
527.73
Synonyms:
None
SMILES:
CC(C)(C)OC(CCCCCCCCCCCCCCC(N[C@@H](CCC(O)=O)C(OC(C)(C)C)=O)=O)=O
Tpsa:
119
Logp:
6.4808
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
20
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₀H₃₆N₄O₇
Molecular Weight: 684.74
Synonyms: None
SMILES: O=C(N1C=C(N=C1)C[C@@H](C(NC(C)(C)C(O)=O)=O)NC(OCC2C3=CC=CC=C3C4=CC=CC=C42)=O)OCC5C6=CC=CC=C6C7=CC=CC=C75
Tpsa: 148.85
Logp: 6.1095
H Acceptors: 8
H Donors: 3
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₀H₃₆N₄O₇
Molecular Weight:
684.74
Synonyms:
None
SMILES:
O=C(N1C=C(N=C1)C[C@@H](C(NC(C)(C)C(O)=O)=O)NC(OCC2C3=CC=CC=C3C4=CC=CC=C42)=O)OCC5C6=CC=CC=C6C7=CC=CC=C75
Tpsa:
148.85
Logp:
6.1095
H Acceptors:
8
H Donors:
3
Rotatable Bonds:
10