CS-1001794
2,3-Butanediol, 2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (R*,S*)-
Manufacturer: ChemScene
CAS Number: 161346-23-2
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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
C₁₂H₁₃F₂N₃O₂
Molecular Weight
269.25
Synonyms
None
SMILES
[C@@](CN1C=NC=N1)([C@@H](C)O)(O)C2=C(F)C=C(F)C=C2
Tpsa
71.17
Logp
0.8249
H Acceptors
5
H Donors
2
Rotatable Bonds
4
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₁₂H₁₃F₂N₃O₂
Molecular Weight: 269.25
Synonyms: None
SMILES: [C@@](CN1C=NC=N1)([C@@H](C)O)(O)C2=C(F)C=C(F)C=C2
Tpsa: 71.17
Logp: 0.8249
H Acceptors: 5
H Donors: 2
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:
C₁₂H₁₃F₂N₃O₂
Molecular Weight:
269.25
Synonyms:
None
SMILES:
[C@@](CN1C=NC=N1)([C@@H](C)O)(O)C2=C(F)C=C(F)C=C2
Tpsa:
71.17
Logp:
0.8249
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
4
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₂H₃₂F₂N₈O₃
Molecular Weight: 614.65
Synonyms: None
SMILES: C([C@@]1(C[C@H](COC2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)N5C(=O)NN=C5)CO1)C6=C(F)C=C(F)C=C6)N7C=NC=N7
Tpsa: 106.33
Logp: 3.7679
H Acceptors: 10
H Donors: 1
Rotatable Bonds: 9
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₃₂F₂N₈O₃
Molecular Weight:
614.65
Synonyms:
None
SMILES:
C([C@@]1(C[C@H](COC2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)N5C(=O)NN=C5)CO1)C6=C(F)C=C(F)C=C6)N7C=NC=N7
Tpsa:
106.33
Logp:
3.7679
H Acceptors:
10
H Donors:
1
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₂ClN₃O₃
Molecular Weight: 233.65
Synonyms: None
SMILES: O=N(=O)C1=CN=C(N1CCOCCCl)C
Tpsa: 70.19
Logp: 1.35512
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₂ClN₃O₃
Molecular Weight:
233.65
Synonyms:
None
SMILES:
O=N(=O)C1=CN=C(N1CCOCCCl)C
Tpsa:
70.19
Logp:
1.35512
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₇ClN₂
Molecular Weight: 248.75
Synonyms: None
SMILES: [Cl-].C=1C=CC(=CC1)C[N+]2=CC=C(C(=C2)NC)C
Tpsa: 15.91
Logp: -0.62348
H Acceptors: 1
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:
C₁₄H₁₇ClN₂
Molecular Weight:
248.75
Synonyms:
None
SMILES:
[Cl-].C=1C=CC(=CC1)C[N+]2=CC=C(C(=C2)NC)C
Tpsa:
15.91
Logp:
-0.62348
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
3