CS-1001741
4-Chloro-β-(nitromethyl)benzenepropanoic acid
Manufacturer: ChemScene
CAS Number: 159112-23-9
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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
C₁₀H₁₀ClNO₄
Molecular Weight
243.64
Synonyms
None
SMILES
O=C(O)CC(C1=CC=C(Cl)C=C1)CN(=O)=O
Tpsa
80.44
Logp
2.175
H Acceptors
3
H Donors
1
Rotatable Bonds
5
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 159112-23-9 | 3-(4-chlorophenyl)-4-nitrobutanoic acid | A2B Chem | -- |
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₁₀H₁₀ClNO₄
Molecular Weight: 243.64
Synonyms: None
SMILES: O=C(O)CC(C1=CC=C(Cl)C=C1)CN(=O)=O
Tpsa: 80.44
Logp: 2.175
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₀ClNO₄
Molecular Weight:
243.64
Synonyms:
None
SMILES:
O=C(O)CC(C1=CC=C(Cl)C=C1)CN(=O)=O
Tpsa:
80.44
Logp:
2.175
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
5
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₅N₅O₃
Molecular Weight: 217.23
Synonyms: None
SMILES: [C@@H](CCCNC(=N)N)(NC(N)=O)C(O)=O
Tpsa: 154.32
Logp: -1.62883
H Acceptors: 3
H Donors: 6
Rotatable Bonds: 6
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₅N₅O₃
Molecular Weight:
217.23
Synonyms:
None
SMILES:
[C@@H](CCCNC(=N)N)(NC(N)=O)C(O)=O
Tpsa:
154.32
Logp:
-1.62883
H Acceptors:
3
H Donors:
6
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: C₂₀H₂₅FO₆
Molecular Weight: 380.41
Synonyms: None
SMILES: F[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)[C@](C(O)=O)(O)[C@H](O)C3)[H])(CCC=4[C@]2(C)C=CC(=O)C4)[H]
Tpsa: 115.06
Logp: 1.1437
H Acceptors: 5
H Donors: 4
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:
C₂₀H₂₅FO₆
Molecular Weight:
380.41
Synonyms:
None
SMILES:
F[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)[C@](C(O)=O)(O)[C@H](O)C3)[H])(CCC=4[C@]2(C)C=CC(=O)C4)[H]
Tpsa:
115.06
Logp:
1.1437
H Acceptors:
5
H Donors:
4
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: C₉H₇BrF₂
Molecular Weight: 233.05
Synonyms: None
SMILES: FC1=CC=C(C(F)=C1)C(=CBr)C
Tpsa: 0
Logp: 3.7205
H Acceptors: 0
H Donors: 0
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:
C₉H₇BrF₂
Molecular Weight:
233.05
Synonyms:
None
SMILES:
FC1=CC=C(C(F)=C1)C(=CBr)C
Tpsa:
0
Logp:
3.7205
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
1