CS-0565687
4-(Difluoromethyl)-3-(hydroxymethyl)benzoic acid
Manufacturer: ChemScene
CAS Number: 2386659-13-6
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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
C₉H₈F₂O₃
Molecular Weight
202.15
Synonyms
None
SMILES
O=C(C1=CC=C(C(F)F)C(CO)=C1)O
Tpsa
57.53
Logp
1.8147
H Acceptors
2
H Donors
2
Rotatable Bonds
3
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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: C₉H₈F₂O₃
Molecular Weight: 202.15
Synonyms: None
SMILES: O=C(C1=CC=C(C(F)F)C(CO)=C1)O
Tpsa: 57.53
Logp: 1.8147
H Acceptors: 2
H Donors: 2
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:
C₉H₈F₂O₃
Molecular Weight:
202.15
Synonyms:
None
SMILES:
O=C(C1=CC=C(C(F)F)C(CO)=C1)O
Tpsa:
57.53
Logp:
1.8147
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₉NO₄
Molecular Weight: 195.17
Synonyms: None
SMILES: O=C(C1=C2OCOC2=CC(N)=C1)OC
Tpsa: 70.78
Logp: 0.7841
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₉NO₄
Molecular Weight:
195.17
Synonyms:
None
SMILES:
O=C(C1=C2OCOC2=CC(N)=C1)OC
Tpsa:
70.78
Logp:
0.7841
H Acceptors:
5
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: C₁₁H₁₃BrN₂O₅
Molecular Weight: 333.14
Synonyms: None
SMILES: O=C(OC(C)(C)C)NC1=C([N+]([O-])=O)C=C(Br)C=C1O
Tpsa: 101.7
Logp: 3.4099
H Acceptors: 5
H Donors: 2
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:
C₁₁H₁₃BrN₂O₅
Molecular Weight:
333.14
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)NC1=C([N+]([O-])=O)C=C(Br)C=C1O
Tpsa:
101.7
Logp:
3.4099
H Acceptors:
5
H Donors:
2
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: C₁₀H₁₀F₃NO₂
Molecular Weight: 233.19
Synonyms: Benzoic acid, 2-(aminomethyl)-5-(trifluoromethyl)-, methyl ester
SMILES: O=C(C1=CC(C(F)(F)F)=CC=C1CN)OC
Tpsa: 52.32
Logp: 1.9507
H Acceptors: 3
H Donors: 1
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:
C₁₀H₁₀F₃NO₂
Molecular Weight:
233.19
Synonyms:
Benzoic acid, 2-(aminomethyl)-5-(trifluoromethyl)-, methyl ester
SMILES:
O=C(C1=CC(C(F)(F)F)=CC=C1CN)OC
Tpsa:
52.32
Logp:
1.9507
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2