CS-0589276
2-(4-Bromobenzyl)hexanoic acid
Manufacturer: ChemScene
CAS Number: 857939-30-1
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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
C₁₃H₁₇BrO₂
Molecular Weight
285.18
Synonyms
None
SMILES
O=C(O)C(CC1=CC=C(Br)C=C1)CCCC
Tpsa
37.3
Logp
3.8826
H Acceptors
1
H Donors
1
Rotatable Bonds
6
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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: C₁₃H₁₇BrO₂
Molecular Weight: 285.18
Synonyms: None
SMILES: O=C(O)C(CC1=CC=C(Br)C=C1)CCCC
Tpsa: 37.3
Logp: 3.8826
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₇BrO₂
Molecular Weight:
285.18
Synonyms:
None
SMILES:
O=C(O)C(CC1=CC=C(Br)C=C1)CCCC
Tpsa:
37.3
Logp:
3.8826
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₃₀O₃
Molecular Weight: 270.41
Synonyms: Heptanoic acid, 2-methyl-, anhydride with 2-methylheptanoic acid
SMILES: CCCCCC(C)C(=O)OC(=O)C(C)CCCCC
Tpsa: 43.37
Logp: 4.489
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₃₀O₃
Molecular Weight:
270.41
Synonyms:
Heptanoic acid, 2-methyl-, anhydride with 2-methylheptanoic acid
SMILES:
CCCCCC(C)C(=O)OC(=O)C(C)CCCCC
Tpsa:
43.37
Logp:
4.489
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₇NO₅
Molecular Weight: 185.13
Synonyms: None
SMILES: O=C(O)C1=C(OC(=C1N(=O)=O)C)C
Tpsa: 93.58
Logp: 1.50284
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:
C₇H₇NO₅
Molecular Weight:
185.13
Synonyms:
None
SMILES:
O=C(O)C1=C(OC(=C1N(=O)=O)C)C
Tpsa:
93.58
Logp:
1.50284
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: C₁₁H₁₅Cl
Molecular Weight: 182.69
Synonyms: None
SMILES: ClC(C)CCC=1C=CC=C(C1)C
Tpsa: 0
Logp: 3.55492
H Acceptors: 0
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:
C₁₁H₁₅Cl
Molecular Weight:
182.69
Synonyms:
None
SMILES:
ClC(C)CCC=1C=CC=C(C1)C
Tpsa:
0
Logp:
3.55492
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
3