CS-0001477
2-(3-bromobenzyl)malonic acid
Manufacturer: ChemScene
CAS Number: 125115-01-7
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₀H₉BrO₄
Molecular Weight
273.08
Synonyms
None
SMILES
O=C(O)C(CC1=CC=CC(Br)=C1)C(O)=O
Tpsa
74.6
Logp
1.777
H Acceptors
2
H Donors
2
Rotatable Bonds
4
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: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₉BrO₄
Molecular Weight: 273.08
Synonyms: None
SMILES: O=C(O)C(CC1=CC=CC(Br)=C1)C(O)=O
Tpsa: 74.6
Logp: 1.777
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 4
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₉BrO₄
Molecular Weight:
273.08
Synonyms:
None
SMILES:
O=C(O)C(CC1=CC=CC(Br)=C1)C(O)=O
Tpsa:
74.6
Logp:
1.777
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
4
Purity: 98%
MDL No: MFCD09028773
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₃BrO₂
Molecular Weight: 257.12
Synonyms: 3-(3-BROMO-PHENYL)-PROPIONIC ACID ETHYL ESTER
SMILES: O=C(OCC)CCC1=CC=CC(Br)=C1
Tpsa: 26.3
Logp: 2.9448
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
MFCD09028773
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₃BrO₂
Molecular Weight:
257.12
Synonyms:
3-(3-BROMO-PHENYL)-PROPIONIC ACID ETHYL ESTER
SMILES:
O=C(OCC)CCC1=CC=CC(Br)=C1
Tpsa:
26.3
Logp:
2.9448
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
4
Purity: 97%
MDL No: MFCD00017852
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₇BrO₄
Molecular Weight: 329.19
Synonyms: Propanedioic acid, 2-[(4-bromophenyl)methyl]-, 1,3-diethyl ester
SMILES: O=C(OCC)C(CC(C=C1)=CC=C1Br)C(OCC)=O
Tpsa: 52.6
Logp: 2.734
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 6
Purity:
97%
MDL No:
MFCD00017852
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₇BrO₄
Molecular Weight:
329.19
Synonyms:
Propanedioic acid, 2-[(4-bromophenyl)methyl]-, 1,3-diethyl ester
SMILES:
O=C(OCC)C(CC(C=C1)=CC=C1Br)C(OCC)=O
Tpsa:
52.6
Logp:
2.734
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
6
Purity: 98%
MDL No: MFCD00001141
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₈O
Molecular Weight: 180.20
Synonyms: None
SMILES: O=C(C1=C2C=CC=C1)C3=C2C=CC=C3
Tpsa: 17.07
Logp: 2.898
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
MFCD00001141
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₈O
Molecular Weight:
180.20
Synonyms:
None
SMILES:
O=C(C1=C2C=CC=C1)C3=C2C=CC=C3
Tpsa:
17.07
Logp:
2.898
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
0