CS-1157611
4-Cyano-3-(difluoromethyl)-5-formylbenzoic acid
Manufacturer: ChemScene
CAS Number: 1805139-65-4
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₀H₅F₂NO₃
Molecular Weight
225.15
Synonyms
None
SMILES
N#CC=1C(C=O)=CC(=CC1C(F)F)C(=O)O
Tpsa
78.16
Logp
2.00658
H Acceptors
3
H Donors
1
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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₅F₂NO₃
Molecular Weight: 225.15
Synonyms: None
SMILES: N#CC=1C(C=O)=CC(=CC1C(F)F)C(=O)O
Tpsa: 78.16
Logp: 2.00658
H Acceptors: 3
H Donors: 1
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:
C₁₀H₅F₂NO₃
Molecular Weight:
225.15
Synonyms:
None
SMILES:
N#CC=1C(C=O)=CC(=CC1C(F)F)C(=O)O
Tpsa:
78.16
Logp:
2.00658
H Acceptors:
3
H Donors:
1
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: C₇H₄BrF₂NO₂
Molecular Weight: 252.01
Synonyms: None
SMILES: O=CC1=CC(Br)=C(C(=O)N1)C(F)F
Tpsa: 49.93
Logp: 1.8875
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₄BrF₂NO₂
Molecular Weight:
252.01
Synonyms:
None
SMILES:
O=CC1=CC(Br)=C(C(=O)N1)C(F)F
Tpsa:
49.93
Logp:
1.8875
H Acceptors:
2
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: C₉H₇N₃O₂S
Molecular Weight: 221.23
Synonyms: None
SMILES: O=C(O)C1=NC(=CC=C1)C=2N=C(SC2)N
Tpsa: 89.1
Logp: 1.4855
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:
C₉H₇N₃O₂S
Molecular Weight:
221.23
Synonyms:
None
SMILES:
O=C(O)C1=NC(=CC=C1)C=2N=C(SC2)N
Tpsa:
89.1
Logp:
1.4855
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: C₆H₇BrN₂O
Molecular Weight: 203.04
Synonyms: None
SMILES: O=C1NC=C(N)C(=C1Br)C
Tpsa: 58.88
Logp: 1.02802
H Acceptors: 2
H Donors: 2
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:
C₆H₇BrN₂O
Molecular Weight:
203.04
Synonyms:
None
SMILES:
O=C1NC=C(N)C(=C1Br)C
Tpsa:
58.88
Logp:
1.02802
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
0