CS-0529895
3-(Difluoromethyl)-5-fluoro-2-(hydroxymethyl)isonicotinonitrile
Manufacturer: ChemScene
CAS Number: 1804714-56-4
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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
C₈H₅F₃N₂O
Molecular Weight
202.13
Synonyms
None
SMILES
N#CC1=C(C(F)F)C(CO)=NC=C1F
Tpsa
56.91
Logp
1.52228
H Acceptors
3
H Donors
1
Rotatable Bonds
2
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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: C₈H₅F₃N₂O
Molecular Weight: 202.13
Synonyms: None
SMILES: N#CC1=C(C(F)F)C(CO)=NC=C1F
Tpsa: 56.91
Logp: 1.52228
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:
C₈H₅F₃N₂O
Molecular Weight:
202.13
Synonyms:
None
SMILES:
N#CC1=C(C(F)F)C(CO)=NC=C1F
Tpsa:
56.91
Logp:
1.52228
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: C₈H₁₃I
Molecular Weight: 236.09
Synonyms: 4-(iodomethyl)bicyclo[2.2.1]heptane
SMILES: ICC1(C2)CCC2CC1
Tpsa: 0
Logp: 3.0017
H Acceptors: 0
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:
C₈H₁₃I
Molecular Weight:
236.09
Synonyms:
4-(iodomethyl)bicyclo[2.2.1]heptane
SMILES:
ICC1(C2)CCC2CC1
Tpsa:
0
Logp:
3.0017
H Acceptors:
0
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: C₁₁H₈N₂O₃S
Molecular Weight: 248.26
Synonyms: None
SMILES: O=CC1=CN=C(CC2=CC=CC([N+]([O-])=O)=C2)S1
Tpsa: 73.1
Logp: 2.4546
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₈N₂O₃S
Molecular Weight:
248.26
Synonyms:
None
SMILES:
O=CC1=CN=C(CC2=CC=CC([N+]([O-])=O)=C2)S1
Tpsa:
73.1
Logp:
2.4546
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₆O₂
Molecular Weight: 158.15
Synonyms: 5-ethynyl-3H-2-benzofuran-1-one
SMILES: O=C1OCC2=C1C=CC(C#C)=C2
Tpsa: 26.3
Logp: 1.3383
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₆O₂
Molecular Weight:
158.15
Synonyms:
5-ethynyl-3H-2-benzofuran-1-one
SMILES:
O=C1OCC2=C1C=CC(C#C)=C2
Tpsa:
26.3
Logp:
1.3383
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
0