CS-0887499
3-Bromo-5-cyano-4-methylbenzoic acid
Manufacturer: ChemScene
CAS Number: 1805529-16-1
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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
C₉H₆BrNO₂
Molecular Weight
240.05
Synonyms
None
SMILES
O=C(O)C1=CC(C#N)=C(C)C(Br)=C1
Tpsa
61.09
Logp
2.3274
H Acceptors
2
H Donors
1
Rotatable Bonds
1
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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
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: C₉H₆BrNO₂
Molecular Weight: 240.05
Synonyms: None
SMILES: O=C(O)C1=CC(C#N)=C(C)C(Br)=C1
Tpsa: 61.09
Logp: 2.3274
H Acceptors: 2
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:
C₉H₆BrNO₂
Molecular Weight:
240.05
Synonyms:
None
SMILES:
O=C(O)C1=CC(C#N)=C(C)C(Br)=C1
Tpsa:
61.09
Logp:
2.3274
H Acceptors:
2
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: C₈H₇BrN₂
Molecular Weight: 211.06
Synonyms: None
SMILES: N#CC1=CC(N)=CC(Br)=C1C
Tpsa: 49.81
Logp: 2.2114
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:
C₈H₇BrN₂
Molecular Weight:
211.06
Synonyms:
None
SMILES:
N#CC1=CC(N)=CC(Br)=C1C
Tpsa:
49.81
Logp:
2.2114
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: C₈H₆BrNO
Molecular Weight: 212.04
Synonyms: None
SMILES: N#CC1=CC(O)=CC(Br)=C1C
Tpsa: 44.02
Logp: 2.3348
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:
C₈H₆BrNO
Molecular Weight:
212.04
Synonyms:
None
SMILES:
N#CC1=CC(O)=CC(Br)=C1C
Tpsa:
44.02
Logp:
2.3348
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: C₆H₁₄Cl₂N₂O
Molecular Weight: 201.09
Synonyms: None
SMILES: [H][C@]1(NCCN2)[C@]2([H])COC1.Cl.Cl
Tpsa: 33.29
Logp: -0.2098
H Acceptors: 3
H Donors: 2
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:
C₆H₁₄Cl₂N₂O
Molecular Weight:
201.09
Synonyms:
None
SMILES:
[H][C@]1(NCCN2)[C@]2([H])COC1.Cl.Cl
Tpsa:
33.29
Logp:
-0.2098
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
0