CS-0928273
3-(Methoxycarbonyl)-2-methyl-5-nitrobenzoic acid
Manufacturer: ChemScene
CAS Number: 2138276-63-6
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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
C₁₀H₉NO₆
Molecular Weight
239.18
Synonyms
None
SMILES
O=C(C1=C(C)C(C(OC)=O)=CC(N(=O)=O)=C1)O
Tpsa
106.74
Logp
1.38802
H Acceptors
5
H Donors
1
Rotatable Bonds
3
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: C₁₀H₉NO₆
Molecular Weight: 239.18
Synonyms: None
SMILES: O=C(C1=C(C)C(C(OC)=O)=CC(N(=O)=O)=C1)O
Tpsa: 106.74
Logp: 1.38802
H Acceptors: 5
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:
C₁₀H₉NO₆
Molecular Weight:
239.18
Synonyms:
None
SMILES:
O=C(C1=C(C)C(C(OC)=O)=CC(N(=O)=O)=C1)O
Tpsa:
106.74
Logp:
1.38802
H Acceptors:
5
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: C₆H₄BrClN₂O
Molecular Weight: 235.47
Synonyms: None
SMILES: O=C(N)C=1C=C(Cl)N=C(Br)C1
Tpsa: 55.98
Logp: 1.5964
H Acceptors: 2
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:
C₆H₄BrClN₂O
Molecular Weight:
235.47
Synonyms:
None
SMILES:
O=C(N)C=1C=C(Cl)N=C(Br)C1
Tpsa:
55.98
Logp:
1.5964
H Acceptors:
2
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: C₈H₈N₂O₃
Molecular Weight: 180.16
Synonyms: None
SMILES: O=CC1=CC(CN)=CC=C1N(=O)=O
Tpsa: 86.23
Logp: 0.866
H Acceptors: 4
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:
C₈H₈N₂O₃
Molecular Weight:
180.16
Synonyms:
None
SMILES:
O=CC1=CC(CN)=CC=C1N(=O)=O
Tpsa:
86.23
Logp:
0.866
H Acceptors:
4
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: C₇H₄ClFN₂
Molecular Weight: 170.57
Synonyms: None
SMILES: N#CCC1=NC(Cl)=CC=C1F
Tpsa: 36.68
Logp: 1.94018
H Acceptors: 2
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:
C₇H₄ClFN₂
Molecular Weight:
170.57
Synonyms:
None
SMILES:
N#CCC1=NC(Cl)=CC=C1F
Tpsa:
36.68
Logp:
1.94018
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1