CS-1155173
2-(Tert-butyl)-3-hydroxybenzonitrile
Manufacturer: ChemScene
CAS Number: 1243362-68-6
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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
C₁₁H₁₃NO
Molecular Weight
175.23
Synonyms
None
SMILES
N#CC=1C=CC=C(O)C1C(C)(C)C
Tpsa
44.02
Logp
2.56138
H Acceptors
2
H Donors
1
Rotatable Bonds
0
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: C₁₁H₁₃NO
Molecular Weight: 175.23
Synonyms: None
SMILES: N#CC=1C=CC=C(O)C1C(C)(C)C
Tpsa: 44.02
Logp: 2.56138
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₃NO
Molecular Weight:
175.23
Synonyms:
None
SMILES:
N#CC=1C=CC=C(O)C1C(C)(C)C
Tpsa:
44.02
Logp:
2.56138
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₃BrN₂
Molecular Weight: 241.13
Synonyms: None
SMILES: BrC=1C=C(C=CC1)[C@H]2CNCCN2
Tpsa: 24.06
Logp: 1.683
H Acceptors: 2
H Donors: 2
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:
C₁₀H₁₃BrN₂
Molecular Weight:
241.13
Synonyms:
None
SMILES:
BrC=1C=C(C=CC1)[C@H]2CNCCN2
Tpsa:
24.06
Logp:
1.683
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₈N₂O₃
Molecular Weight: 250.30
Synonyms: None
SMILES: C([C@@H](C(OC)=O)N)C1=CC=C(NC(CC)=O)C=C1
Tpsa: 81.42
Logp: 1.0779
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 5
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₈N₂O₃
Molecular Weight:
250.30
Synonyms:
None
SMILES:
C([C@@H](C(OC)=O)N)C1=CC=C(NC(CC)=O)C=C1
Tpsa:
81.42
Logp:
1.0779
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
5
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₃BrN₂O
Molecular Weight: 199.01
Synonyms: None
SMILES: BrC=1N=CC=2ON=CC2C1
Tpsa: 38.92
Logp: 1.9853
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 0
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₃BrN₂O
Molecular Weight:
199.01
Synonyms:
None
SMILES:
BrC=1N=CC=2ON=CC2C1
Tpsa:
38.92
Logp:
1.9853
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
0