CS-0570353
2-(3-(4-(Tert-butyl)phenyl)-1H-1,2,4-triazol-5-yl)acetic acid hydrate
Manufacturer: ChemScene
CAS Number: 935553-85-8
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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
C₁₄H₁₉N₃O₃
Molecular Weight
277.32
Synonyms
5-(4-tert-Butylphenyl)-1h-1,2,4-triazole-3-acetic acid
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=NNC(=N2)CC(=O)O.O
Tpsa
110.37
Logp
1.5716
H Acceptors
3
H Donors
2
Rotatable Bonds
3
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: C₁₄H₁₉N₃O₃
Molecular Weight: 277.32
Synonyms: 5-(4-tert-Butylphenyl)-1h-1,2,4-triazole-3-acetic acid
SMILES: CC(C)(C)C1=CC=C(C=C1)C2=NNC(=N2)CC(=O)O.O
Tpsa: 110.37
Logp: 1.5716
H Acceptors: 3
H Donors: 2
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:
C₁₄H₁₉N₃O₃
Molecular Weight:
277.32
Synonyms:
5-(4-tert-Butylphenyl)-1h-1,2,4-triazole-3-acetic acid
SMILES:
CC(C)(C)C1=CC=C(C=C1)C2=NNC(=N2)CC(=O)O.O
Tpsa:
110.37
Logp:
1.5716
H Acceptors:
3
H Donors:
2
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: C₁₇H₂₅NO₃
Molecular Weight: 291.39
Synonyms: 3-nitro-1-(4-octylphenyl)-preopanone
SMILES: CCCCCCCCC1=CC=C(C=C1)C(=O)CC[N+](=O)[O-]
Tpsa: 60.21
Logp: 4.4391
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₅NO₃
Molecular Weight:
291.39
Synonyms:
3-nitro-1-(4-octylphenyl)-preopanone
SMILES:
CCCCCCCCC1=CC=C(C=C1)C(=O)CC[N+](=O)[O-]
Tpsa:
60.21
Logp:
4.4391
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₂₈O₃S
Molecular Weight: 312.47
Synonyms: 2-(4-Octylphenyl)ethyl 1-Methanesulfonate
SMILES: CCCCCCCCC1=CC=C(C=C1)CCOS(=O)(=O)C
Tpsa: 43.37
Logp: 4.1083
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₈O₃S
Molecular Weight:
312.47
Synonyms:
2-(4-Octylphenyl)ethyl 1-Methanesulfonate
SMILES:
CCCCCCCCC1=CC=C(C=C1)CCOS(=O)(=O)C
Tpsa:
43.37
Logp:
4.1083
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₃ClO
Molecular Weight: 266.81
Synonyms: 2-Chloro-1-(4-octylphenyl)ethanone
SMILES: CCCCCCCCC1=CC=C(C=C1)C(=O)CCl
Tpsa: 17.07
Logp: 5.0111
H Acceptors: 1
H Donors: 0
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:
C₁₆H₂₃ClO
Molecular Weight:
266.81
Synonyms:
2-Chloro-1-(4-octylphenyl)ethanone
SMILES:
CCCCCCCCC1=CC=C(C=C1)C(=O)CCl
Tpsa:
17.07
Logp:
5.0111
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
9