CS-0579868
Methyl 5-chloro-2-iodo-3-nitrobenzoate
Manufacturer: ChemScene
CAS Number: 855471-31-7
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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
C₈H₅ClINO₄
Molecular Weight
341.49
Synonyms
Benzoic acid, 5-chloro-2-iodo-3-nitro-, methyl ester
SMILES
COC(=O)C1=C(C(=CC(=C1)Cl)[N+](=O)[O-])I
Tpsa
69.44
Logp
2.6394
H Acceptors
4
H Donors
0
Rotatable Bonds
2
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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: C₈H₅ClINO₄
Molecular Weight: 341.49
Synonyms: Benzoic acid, 5-chloro-2-iodo-3-nitro-, methyl ester
SMILES: COC(=O)C1=C(C(=CC(=C1)Cl)[N+](=O)[O-])I
Tpsa: 69.44
Logp: 2.6394
H Acceptors: 4
H Donors: 0
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:
C₈H₅ClINO₄
Molecular Weight:
341.49
Synonyms:
Benzoic acid, 5-chloro-2-iodo-3-nitro-, methyl ester
SMILES:
COC(=O)C1=C(C(=CC(=C1)Cl)[N+](=O)[O-])I
Tpsa:
69.44
Logp:
2.6394
H Acceptors:
4
H Donors:
0
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: C₁₁H₁₃ClO
Molecular Weight: 196.67
Synonyms: None
SMILES: CCOC1=C(C=C(C=C1)Cl)CC=C
Tpsa: 9.23
Logp: 3.4672
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₃ClO
Molecular Weight:
196.67
Synonyms:
None
SMILES:
CCOC1=C(C=C(C=C1)Cl)CC=C
Tpsa:
9.23
Logp:
3.4672
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₁NO
Molecular Weight: 219.32
Synonyms: 4-(4-tert-butylphenyl)butanamide
SMILES: CC(C)(C)C1=CC=C(C=C1)CCCC(=O)N
Tpsa: 43.09
Logp: 2.7921
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₁NO
Molecular Weight:
219.32
Synonyms:
4-(4-tert-butylphenyl)butanamide
SMILES:
CC(C)(C)C1=CC=C(C=C1)CCCC(=O)N
Tpsa:
43.09
Logp:
2.7921
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₂O₆
Molecular Weight: 310.34
Synonyms: Ethyl 5-(2,3,4-trimethoxyphenyl)-5-oxovalerate
SMILES: CCOC(=O)CCCC(=O)C1=C(C(=C(C=C1)OC)OC)OC
Tpsa: 71.06
Logp: 2.6285
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₂O₆
Molecular Weight:
310.34
Synonyms:
Ethyl 5-(2,3,4-trimethoxyphenyl)-5-oxovalerate
SMILES:
CCOC(=O)CCCC(=O)C1=C(C(=C(C=C1)OC)OC)OC
Tpsa:
71.06
Logp:
2.6285
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
9