CS-0674789

2-(2,2-Difluorocyclopropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-1,2,3-triazole

Manufacturer: ChemScene

CAS Number: 2710293-85-7

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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

C₁₁H₁₆BF₂N₃O₂

Molecular Weight

271.07

Synonyms

None

SMILES

CC1(C)C(C)(C)OB(C2=NN(C3C(F)(F)C3)N=C2)O1

Tpsa

49.17

Logp

1.1574

H Acceptors

5

H Donors

0

Rotatable Bonds

2

SAFETY INFORMATION

Pictograms

GHS07

Signal Word

Warning

UN Number

N/A

Class

N/A

Packing Group

N/A

Hazard Statements

H302-H315-H319-H335

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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Img

ChemScene

CS-0674789

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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:
C₁₁H₁₆BF₂N₃O₂

Molecular Weight:
271.07

Synonyms:
None

SMILES:
CC1(C)C(C)(C)OB(C2=NN(C3C(F)(F)C3)N=C2)O1

Tpsa:
49.17

Logp:
1.1574

H Acceptors:
5

H Donors:
0

Rotatable Bonds:
2

Img

ChemScene

CS-0674800

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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:
C₁₇₅H₂₇₅N₅₃O₅₇S₃

Molecular Weight:
4129.57

Synonyms:
None

SMILES:
O=C(N[C@@H](CSSC[C@@H](C(N[C@@H](C)C(N[C@@H]([C@H](O)C)C(N[C@@H](CCC(N)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC(C)C)C(N[C@@H](C)C(N[C@@H](CC(N)=O)C(N[C@@H](CC1=CC=CC=C1)C(N[C@@H](CC(C)C)C(N[C@@H](C(C)C)C(N[C@@H](CC2=CNC=N2)C(N[C@@H](CO)C(N[C@@H](CO)C(N[C@@H](CC(N)=O)C(N[C@@H](CC(N)=O)C(N[C@@H](CC3=CC=CC=C3)C(NCC(N[C@@H](C)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](CC(C)C)C(N[C@@H](CO)C(N[C@@H](CO)C(N[C@@H]([C@H](O)C)C(N[C@@H](CC(N)=O)C(N[C@@H](C(C)C)C(NCC(N[C@@H](CO)C(N[C@@H](CC(N)=O)C(N[C@@H]([C@H](O)C)C(N[C@@H](CC4=CC=C(C=C4)O)C(N)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)NC5=O)C(N[C@@H](CC(N)=O)C(N[C@@H]([C@H](O)C)C(N[C@@H](C)C(N[C@H]5[C@H](O)C)=O)=O)=O)=O)[C@H](CCCCN)NC(CCCC[C@H]6[C@@]7([C@@]([H])(NC(N7)=O)CS6)[H])=O

Tpsa:
N/A

Logp:
N/A

H Acceptors:
N/A

H Donors:
N/A

Rotatable Bonds:
N/A

Img

ChemScene

CS-0674806

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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:
C₂₁₇H₃₂₂N₅₈O₆₀S₂

Molecular Weight:
4767.43

Synonyms:
None

SMILES:
O=C(N[C@@H](CC1=CC=C(C=C1)O)C(N[C@@H](CO)C(N[C@@H](CCSC)C(N[C@@H](CCC(O)=O)C(N[C@@H](CC2=CNC=N2)C(N[C@@H](CC3=CC=CC=C3)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC4=CNC5=CC=CC=C45)C(NCC(N[C@@H](CCCCN)C(N6[C@@H](CCC6)C(N[C@@H](C(C)C)C(NCC(N[C@@H](CCCCN)C(N[C@@H](CCCCN)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N7[C@@H](CCC7)C(N[C@@H](C(C)C)C(N[C@@H](CCCCN)C(N[C@@H](C(C)C)C(N[C@@H](CC8=CC=C(C=C8)O)C(N9[C@@H](CCC9)C(N[C@@H](CC(N)=O)C(NCC(N[C@@H](C)C(N[C@@H](CCC(O)=O)C(N[C@@H](CC(O)=O)C(N[C@@H](CCC(O)=O)C(N[C@@H](CO)C(N[C@@H](C)C(N[C@@H](CCC(O)=O)C(N[C@@H](C)C(N[C@@H](CC%10=CC=CC=C%10)C(N%11[C@@H](CCC%11)C(N[C@@H](CC(C)C)C(N[C@@H](CCC(O)=O)C(N[C@@H](CC%12=CC=CC=C%12)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@H](CO)NC(CCCC[C@@H]%13SC[C@]([C@]%13([H])N%14)([H])NC%14=O)=O

Tpsa:
N/A

Logp:
N/A

H Acceptors:
N/A

H Donors:
N/A

Rotatable Bonds:
N/A

Img

ChemScene

CS-0674850

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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:
C₈H₃F₄NO₃

Molecular Weight:
237.11

Synonyms:
None

SMILES:
FC1=C([N+]([O-])=O)C=CC(C(C(F)(F)F)=O)=C1

Tpsa:
60.21

Logp:
2.4789

H Acceptors:
3

H Donors:
0

Rotatable Bonds:
2