CS-0603979
(3-Chlorophenyl)(5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl)methanone
Manufacturer: ChemScene
CAS Number: 439109-72-5
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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
C₁₃H₁₀ClF₃N₂O
Molecular Weight
302.68
Synonyms
None
SMILES
C1CN(C=CC(=N1)C(F)(F)F)C(=O)C2=CC(=CC=C2)Cl
Tpsa
32.67
Logp
3.3128
H Acceptors
2
H Donors
0
Rotatable Bonds
1
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: C₁₃H₁₀ClF₃N₂O
Molecular Weight: 302.68
Synonyms: None
SMILES: C1CN(C=CC(=N1)C(F)(F)F)C(=O)C2=CC(=CC=C2)Cl
Tpsa: 32.67
Logp: 3.3128
H Acceptors: 2
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:
C₁₃H₁₀ClF₃N₂O
Molecular Weight:
302.68
Synonyms:
None
SMILES:
C1CN(C=CC(=N1)C(F)(F)F)C(=O)C2=CC(=CC=C2)Cl
Tpsa:
32.67
Logp:
3.3128
H Acceptors:
2
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: C₁₃H₁₀F₄N₂O
Molecular Weight: 286.22
Synonyms: None
SMILES: C1CN(C=CC(=N1)C(F)(F)F)C(=O)C2=CC=C(C=C2)F
Tpsa: 32.67
Logp: 2.7985
H Acceptors: 2
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:
C₁₃H₁₀F₄N₂O
Molecular Weight:
286.22
Synonyms:
None
SMILES:
C1CN(C=CC(=N1)C(F)(F)F)C(=O)C2=CC=C(C=C2)F
Tpsa:
32.67
Logp:
2.7985
H Acceptors:
2
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: C₁₄H₁₄N₄O₂S
Molecular Weight: 302.35
Synonyms: None
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2=C(N3C(=CC(=N3)C)N=C2)N
Tpsa: 90.35
Logp: 1.76114
H Acceptors: 6
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:
C₁₄H₁₄N₄O₂S
Molecular Weight:
302.35
Synonyms:
None
SMILES:
CC1=CC=C(C=C1)S(=O)(=O)C2=C(N3C(=CC(=N3)C)N=C2)N
Tpsa:
90.35
Logp:
1.76114
H Acceptors:
6
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: C₁₈H₁₅N₃O₂
Molecular Weight: 305.33
Synonyms: None
SMILES: CN1C=CC=C1C(C#N)C2=NC=C(C3=CC=CC=C32)C(=O)OC
Tpsa: 67.91
Logp: 3.01538
H Acceptors: 5
H Donors: 0
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:
C₁₈H₁₅N₃O₂
Molecular Weight:
305.33
Synonyms:
None
SMILES:
CN1C=CC=C1C(C#N)C2=NC=C(C3=CC=CC=C32)C(=O)OC
Tpsa:
67.91
Logp:
3.01538
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
3