CS-0901195
3-(Hydroxymethyl)-4-nitrobenzonitrile
Manufacturer: ChemScene
CAS Number: 90178-81-7
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Purity
95%
MDL No
MFCD29762437
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₈H₆N₂O₃
Molecular Weight
178.14
Synonyms
None
SMILES
N#CC1=CC=C(C(CO)=C1)[N+]([O-])=O
Tpsa
87.16
Logp
0.95878
H Acceptors
4
H Donors
1
Rotatable Bonds
2
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SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
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Purity: 95%
MDL No: MFCD29762437
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₆N₂O₃
Molecular Weight: 178.14
Synonyms: None
SMILES: N#CC1=CC=C(C(CO)=C1)[N+]([O-])=O
Tpsa: 87.16
Logp: 0.95878
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 2
Purity:
95%
MDL No:
MFCD29762437
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₆N₂O₃
Molecular Weight:
178.14
Synonyms:
None
SMILES:
N#CC1=CC=C(C(CO)=C1)[N+]([O-])=O
Tpsa:
87.16
Logp:
0.95878
H Acceptors:
4
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: C₇H₅BBrNO₂
Molecular Weight: 225.84
Synonyms: None
SMILES: N#CC1=CC=C(C(B(O)O)=C1)Br
Tpsa: 64.25
Logp: 0.00058
H Acceptors: 3
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:
C₇H₅BBrNO₂
Molecular Weight:
225.84
Synonyms:
None
SMILES:
N#CC1=CC=C(C(B(O)O)=C1)Br
Tpsa:
64.25
Logp:
0.00058
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
1
Purity: 98%
MDL No: MFCD18803337
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₄ClN₃O
Molecular Weight: 169.57
Synonyms: None
SMILES: N#CC(C(N)=C1)=C(Cl)NC1=O
Tpsa: 82.67
Logp: 0.48218
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 0
Purity:
98%
MDL No:
MFCD18803337
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₄ClN₃O
Molecular Weight:
169.57
Synonyms:
None
SMILES:
N#CC(C(N)=C1)=C(Cl)NC1=O
Tpsa:
82.67
Logp:
0.48218
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
0
Purity: 98%
MDL No: MFCD24849419
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₀N₂O
Molecular Weight: 138.17
Synonyms: None
SMILES: O=C1C(N)=C(CC)C=CN1
Tpsa: 58.88
Logp: 0.5195
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD24849419
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₀N₂O
Molecular Weight:
138.17
Synonyms:
None
SMILES:
O=C1C(N)=C(CC)C=CN1
Tpsa:
58.88
Logp:
0.5195
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1