CS-0535573
5-Methoxy-4-(4-methoxy-4-oxobutoxy)-2-nitrobenzoic acid
Manufacturer: ChemScene
CAS Number: 349536-24-9
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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
C₁₃H₁₅NO₈
Molecular Weight
313.26
Synonyms
None
SMILES
COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OCCCC(=O)OC
Tpsa
125.2
Logp
1.6336
H Acceptors
7
H Donors
1
Rotatable Bonds
8
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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: C₁₃H₁₅NO₈
Molecular Weight: 313.26
Synonyms: None
SMILES: COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OCCCC(=O)OC
Tpsa: 125.2
Logp: 1.6336
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₅NO₈
Molecular Weight:
313.26
Synonyms:
None
SMILES:
COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OCCCC(=O)OC
Tpsa:
125.2
Logp:
1.6336
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₅Cl₂NO₃
Molecular Weight: 234.04
Synonyms: None
SMILES: CC1=C(C(=C(C=C1C=O)Cl)Cl)[N+](=O)[O-]
Tpsa: 60.21
Logp: 3.02252
H Acceptors: 3
H Donors: 0
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:
C₈H₅Cl₂NO₃
Molecular Weight:
234.04
Synonyms:
None
SMILES:
CC1=C(C(=C(C=C1C=O)Cl)Cl)[N+](=O)[O-]
Tpsa:
60.21
Logp:
3.02252
H Acceptors:
3
H Donors:
0
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: C₈H₅BrOS
Molecular Weight: 229.09
Synonyms: 4-bromo-benzo[b]thiophen-3(2H)-one
SMILES: C1C(=O)C2=C(S1)C=CC=C2Br
Tpsa: 17.07
Logp: 2.7375
H Acceptors: 2
H Donors: 0
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:
C₈H₅BrOS
Molecular Weight:
229.09
Synonyms:
4-bromo-benzo[b]thiophen-3(2H)-one
SMILES:
C1C(=O)C2=C(S1)C=CC=C2Br
Tpsa:
17.07
Logp:
2.7375
H Acceptors:
2
H Donors:
0
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: C₁₀H₁₀Br₂O
Molecular Weight: 305.99
Synonyms: None
SMILES: C1CC(C2=C(C1)C(=CC(=C2)Br)Br)O
Tpsa: 20.23
Logp: 3.5813
H Acceptors: 1
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:
C₁₀H₁₀Br₂O
Molecular Weight:
305.99
Synonyms:
None
SMILES:
C1CC(C2=C(C1)C(=CC(=C2)Br)Br)O
Tpsa:
20.23
Logp:
3.5813
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
0