CS-0888414
4-(Bromomethyl)-2,5-difluorobenzoic acid
Manufacturer: ChemScene
CAS Number: 178696-18-9
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Purity
98%
MDL No
MFCD30750148
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₈H₅BrF₂O₂
Molecular Weight
251.02
Synonyms
None
SMILES
O=C(O)C1=CC(F)=C(CBr)C=C1F
Tpsa
37.3
Logp
2.5579
H Acceptors
1
H Donors
1
Rotatable Bonds
2
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SAFETY INFORMATION
Pictograms
Signal Word
Danger
UN Number
3261
Class
8
Packing Group
Ⅲ
Hazard Statements
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Purity: 98%
MDL No: MFCD30750148
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₅BrF₂O₂
Molecular Weight: 251.02
Synonyms: None
SMILES: O=C(O)C1=CC(F)=C(CBr)C=C1F
Tpsa: 37.3
Logp: 2.5579
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD30750148
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₅BrF₂O₂
Molecular Weight:
251.02
Synonyms:
None
SMILES:
O=C(O)C1=CC(F)=C(CBr)C=C1F
Tpsa:
37.3
Logp:
2.5579
H Acceptors:
1
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: C₈H₆N₂O₃
Molecular Weight: 178.14
Synonyms: None
SMILES: O=C(C1=NC=C(C#N)C=C1O)OC
Tpsa: 83.21
Logp: 0.44548
H Acceptors: 5
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:
C₈H₆N₂O₃
Molecular Weight:
178.14
Synonyms:
None
SMILES:
O=C(C1=NC=C(C#N)C=C1O)OC
Tpsa:
83.21
Logp:
0.44548
H Acceptors:
5
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: C₁₀H₉NO₃
Molecular Weight: 191.18
Synonyms: None
SMILES: O=C(OC)CC1=CC=C(O)C(C#N)=C1
Tpsa: 70.32
Logp: 0.97938
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:
C₁₀H₉NO₃
Molecular Weight:
191.18
Synonyms:
None
SMILES:
O=C(OC)CC1=CC=C(O)C(C#N)=C1
Tpsa:
70.32
Logp:
0.97938
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: C₁₀H₁₂N₂O
Molecular Weight: 176.22
Synonyms: None
SMILES: OC(C)(C)C1=CC2=C(NN=C2)C=C1
Tpsa: 48.91
Logp: 1.7903
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:
C₁₀H₁₂N₂O
Molecular Weight:
176.22
Synonyms:
None
SMILES:
OC(C)(C)C1=CC2=C(NN=C2)C=C1
Tpsa:
48.91
Logp:
1.7903
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1