CS-0534304
3-Nitro-1H-indole-5-carbonitrile
Manufacturer: ChemScene
CAS Number: 887202-39-3
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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
C₉H₅N₃O₂
Molecular Weight
187.15
Synonyms
None
SMILES
N#CC1=CC2=C(NC=C2[N+]([O-])=O)C=C1
Tpsa
82.72
Logp
1.94778
H Acceptors
3
H Donors
1
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: C₉H₅N₃O₂
Molecular Weight: 187.15
Synonyms: None
SMILES: N#CC1=CC2=C(NC=C2[N+]([O-])=O)C=C1
Tpsa: 82.72
Logp: 1.94778
H Acceptors: 3
H Donors: 1
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:
C₉H₅N₃O₂
Molecular Weight:
187.15
Synonyms:
None
SMILES:
N#CC1=CC2=C(NC=C2[N+]([O-])=O)C=C1
Tpsa:
82.72
Logp:
1.94778
H Acceptors:
3
H Donors:
1
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: C₉H₁₂N₂O₂
Molecular Weight: 180.20
Synonyms: Benzoic acid, 4,5-diamino-2-methyl-, methyl ester
SMILES: O=C(C1=CC(N)=C(C=C1C)N)OC
Tpsa: 78.34
Logp: 0.94602
H Acceptors: 4
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:
C₉H₁₂N₂O₂
Molecular Weight:
180.20
Synonyms:
Benzoic acid, 4,5-diamino-2-methyl-, methyl ester
SMILES:
O=C(C1=CC(N)=C(C=C1C)N)OC
Tpsa:
78.34
Logp:
0.94602
H Acceptors:
4
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: C₉H₉F₂N
Molecular Weight: 169.17
Synonyms: None
SMILES: FC(C1=CC=C2NCCC2=C1)F
Tpsa: 12.03
Logp: 2.5922
H Acceptors: 1
H Donors: 1
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:
C₉H₉F₂N
Molecular Weight:
169.17
Synonyms:
None
SMILES:
FC(C1=CC=C2NCCC2=C1)F
Tpsa:
12.03
Logp:
2.5922
H Acceptors:
1
H Donors:
1
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: C₇H₁₀BNO₃
Molecular Weight: 166.97
Synonyms: None
SMILES: OB(C1=CC(OC)=CC=C1N)O
Tpsa: 75.71
Logp: -1.0428
H Acceptors: 4
H Donors: 3
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:
C₇H₁₀BNO₃
Molecular Weight:
166.97
Synonyms:
None
SMILES:
OB(C1=CC(OC)=CC=C1N)O
Tpsa:
75.71
Logp:
-1.0428
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
2