CS-1000729
2-Chloro-1-[(2S)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]ethanone
Manufacturer: ChemScene
CAS Number: 1219915-00-0
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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
C₁₁H₁₀ClFO₂
Molecular Weight
228.65
Synonyms
None
SMILES
C(CCl)(=O)[C@H]1OC=2C(=CC(F)=CC2)CC1
Tpsa
26.3
Logp
2.3272
H Acceptors
2
H Donors
0
Rotatable Bonds
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: C₁₁H₁₀ClFO₂
Molecular Weight: 228.65
Synonyms: None
SMILES: C(CCl)(=O)[C@H]1OC=2C(=CC(F)=CC2)CC1
Tpsa: 26.3
Logp: 2.3272
H Acceptors: 2
H Donors: 0
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:
C₁₁H₁₀ClFO₂
Molecular Weight:
228.65
Synonyms:
None
SMILES:
C(CCl)(=O)[C@H]1OC=2C(=CC(F)=CC2)CC1
Tpsa:
26.3
Logp:
2.3272
H Acceptors:
2
H Donors:
0
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: C₁₁H₁₁FO₃
Molecular Weight: 210.20
Synonyms: None
SMILES: C(OC)(=O)[C@H]1OC=2C(=CC(F)=CC2)CC1
Tpsa: 35.53
Logp: 1.6923
H Acceptors: 3
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:
C₁₁H₁₁FO₃
Molecular Weight:
210.20
Synonyms:
None
SMILES:
C(OC)(=O)[C@H]1OC=2C(=CC(F)=CC2)CC1
Tpsa:
35.53
Logp:
1.6923
H Acceptors:
3
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: C₂₄H₂₇ClFN₅O₃
Molecular Weight: 487.95
Synonyms: None
SMILES: N(C=1C2=C(C=C(O[C@H]3CCOC3)C(NC(CCCN(C)C)=O)=C2)N=CN1)C4=CC(Cl)=C(F)C=C4
Tpsa: 88.61
Logp: 4.6139
H Acceptors: 7
H Donors: 2
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:
C₂₄H₂₇ClFN₅O₃
Molecular Weight:
487.95
Synonyms:
None
SMILES:
N(C=1C2=C(C=C(O[C@H]3CCOC3)C(NC(CCCN(C)C)=O)=C2)N=CN1)C4=CC(Cl)=C(F)C=C4
Tpsa:
88.61
Logp:
4.6139
H Acceptors:
7
H Donors:
2
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: C₂₁H₂₆BrNO₄
Molecular Weight: 436.34
Synonyms: None
SMILES: O[C@@]12[C@@]3(C=4C(=C[C@]1([N@+](CC5CC5)(C)CC3)[H])C=CC(=O)C4O)CC(=O)CC2.[Br-]
Tpsa: 74.6
Logp: -1.0192
H Acceptors: 4
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:
C₂₁H₂₆BrNO₄
Molecular Weight:
436.34
Synonyms:
None
SMILES:
O[C@@]12[C@@]3(C=4C(=C[C@]1([N@+](CC5CC5)(C)CC3)[H])C=CC(=O)C4O)CC(=O)CC2.[Br-]
Tpsa:
74.6
Logp:
-1.0192
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
2