CS-1022997
2-(Butoxycarbonyl)-5-nitrobenzoic acid
Manufacturer: ChemScene
CAS Number: 1647063-86-2
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₂H₁₃NO₆
Molecular Weight
267.23
Synonyms
None
SMILES
O=C(O)C1=CC(=CC=C1C(=O)OCCCC)N(=O)=O
Tpsa
106.74
Logp
2.2499
H Acceptors
5
H Donors
1
Rotatable Bonds
6
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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: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₃NO₆
Molecular Weight: 267.23
Synonyms: None
SMILES: O=C(O)C1=CC(=CC=C1C(=O)OCCCC)N(=O)=O
Tpsa: 106.74
Logp: 2.2499
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 6
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₃NO₆
Molecular Weight:
267.23
Synonyms:
None
SMILES:
O=C(O)C1=CC(=CC=C1C(=O)OCCCC)N(=O)=O
Tpsa:
106.74
Logp:
2.2499
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
6
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₄N₂
Molecular Weight: 150.22
Synonyms: None
SMILES: N=1C(=CC=C(C1C(N)C)C)C
Tpsa: 38.91
Logp: 1.71814
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₄N₂
Molecular Weight:
150.22
Synonyms:
None
SMILES:
N=1C(=CC=C(C1C(N)C)C)C
Tpsa:
38.91
Logp:
1.71814
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₂F₂O₃S
Molecular Weight: 214.23
Synonyms: None
SMILES: O=S(=O)(OCC1CCC(F)(F)C1)C
Tpsa: 43.37
Logp: 1.398
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₂F₂O₃S
Molecular Weight:
214.23
Synonyms:
None
SMILES:
O=S(=O)(OCC1CCC(F)(F)C1)C
Tpsa:
43.37
Logp:
1.398
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD03613598
Storage: 4°C, sealed storage, away from moisture
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₃H₃₄Ca₀.₅FN₂O₅
Molecular Weight: 577.67
Synonyms: CI-981; Atorvastatin hemicalcium
SMILES: FC1=CC=C(C2=C(C3=CC=CC=C3)C(C(NC4=CC=CC=C4)=O)=C(C(C)C)N2CC[C@@H](O)C[C@@H](O)CC([O-])=O)C=C1.[0.5Ca2+]
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
98%
MDL No:
MFCD03613598
Storage:
4°C, sealed storage, away from moisture
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₃H₃₄Ca₀.₅FN₂O₅
Molecular Weight:
577.67
Synonyms:
CI-981; Atorvastatin hemicalcium
SMILES:
FC1=CC=C(C2=C(C3=CC=CC=C3)C(C(NC4=CC=CC=C4)=O)=C(C(C)C)N2CC[C@@H](O)C[C@@H](O)CC([O-])=O)C=C1.[0.5Ca2+]
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A