CS-0627470
4-Bromo-3-cyano-5-methylbenzoic acid
Manufacturer: ChemScene
CAS Number: 1805189-00-7
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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)=C(Br)C(C#N)=C1
Tpsa
61.09
Logp
2.3274
H Acceptors
2
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: C₉H₆BrNO₂
Molecular Weight: 240.05
Synonyms: None
SMILES: O=C(O)C1=CC(C)=C(Br)C(C#N)=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)=C(Br)C(C#N)=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: C₁₅H₂₀N₂O₅
Molecular Weight: 308.33
Synonyms: None
SMILES: O=C(N1C[C@@H](OC2=CC=CC=C2[N+]([O-])=O)CC1)OC(C)(C)C
Tpsa: 81.91
Logp: 2.983
H Acceptors: 5
H Donors: 0
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:
C₁₅H₂₀N₂O₅
Molecular Weight:
308.33
Synonyms:
None
SMILES:
O=C(N1C[C@@H](OC2=CC=CC=C2[N+]([O-])=O)CC1)OC(C)(C)C
Tpsa:
81.91
Logp:
2.983
H Acceptors:
5
H Donors:
0
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: C₈H₄ClFO₃
Molecular Weight: 202.57
Synonyms: None
SMILES: O=C(O)C1=CC(C=O)=C(Cl)C(F)=C1
Tpsa: 54.37
Logp: 1.9898
H Acceptors: 2
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:
C₈H₄ClFO₃
Molecular Weight:
202.57
Synonyms:
None
SMILES:
O=C(O)C1=CC(C=O)=C(Cl)C(F)=C1
Tpsa:
54.37
Logp:
1.9898
H Acceptors:
2
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: C₈H₄ClFO₄
Molecular Weight: 218.57
Synonyms: None
SMILES: O=C(C1=CC(F)=C(Cl)C(C(O)=O)=C1)O
Tpsa: 74.6
Logp: 1.8755
H Acceptors: 2
H Donors: 2
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:
C₈H₄ClFO₄
Molecular Weight:
218.57
Synonyms:
None
SMILES:
O=C(C1=CC(F)=C(Cl)C(C(O)=O)=C1)O
Tpsa:
74.6
Logp:
1.8755
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
2