CS-0555778
Methyl 1-(3,4-dichlorobenzyl)-1H-indole-3-carboxylate
Manufacturer: ChemScene
CAS Number: 701223-44-1
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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
C₁₇H₁₃Cl₂NO₂
Molecular Weight
334.20
Synonyms
1H-INDOLE-3-CARBOXYLIC ACID, 1-[(3,4-DICHLOROPHENYL)METHYL]-, METHYL ESTER
SMILES
COC(=O)C1=CN(C2=CC=CC=C21)CC3=CC(=C(C=C3)Cl)Cl
Tpsa
31.23
Logp
4.783
H Acceptors
3
H Donors
0
Rotatable Bonds
3
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: C₁₇H₁₃Cl₂NO₂
Molecular Weight: 334.20
Synonyms: 1H-INDOLE-3-CARBOXYLIC ACID, 1-[(3,4-DICHLOROPHENYL)METHYL]-, METHYL ESTER
SMILES: COC(=O)C1=CN(C2=CC=CC=C21)CC3=CC(=C(C=C3)Cl)Cl
Tpsa: 31.23
Logp: 4.783
H Acceptors: 3
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:
C₁₇H₁₃Cl₂NO₂
Molecular Weight:
334.20
Synonyms:
1H-INDOLE-3-CARBOXYLIC ACID, 1-[(3,4-DICHLOROPHENYL)METHYL]-, METHYL ESTER
SMILES:
COC(=O)C1=CN(C2=CC=CC=C21)CC3=CC(=C(C=C3)Cl)Cl
Tpsa:
31.23
Logp:
4.783
H Acceptors:
3
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: C₁₀H₁₂BrNO₂
Molecular Weight: 258.11
Synonyms: None
SMILES: O=C(NC)COC1=CC=C(Br)C(C)=C1
Tpsa: 38.33
Logp: 1.88232
H Acceptors: 2
H Donors: 1
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:
C₁₀H₁₂BrNO₂
Molecular Weight:
258.11
Synonyms:
None
SMILES:
O=C(NC)COC1=CC=C(Br)C(C)=C1
Tpsa:
38.33
Logp:
1.88232
H Acceptors:
2
H Donors:
1
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: C₁₉H₂₀N₂O₄
Molecular Weight: 340.37
Synonyms: None
SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2(CCCC2)C3=CC=CC=C3
Tpsa: 81.47
Logp: 4.0539
H Acceptors: 4
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:
C₁₉H₂₀N₂O₄
Molecular Weight:
340.37
Synonyms:
None
SMILES:
COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2(CCCC2)C3=CC=CC=C3
Tpsa:
81.47
Logp:
4.0539
H Acceptors:
4
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: C₁₃H₁₉N
Molecular Weight: 189.30
Synonyms: UKRORGSYN-BB BBV-119979
SMILES: CC1=CC=C(C=C1)CNC2CCCC2
Tpsa: 12.03
Logp: 3.02722
H Acceptors: 1
H Donors: 1
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:
C₁₃H₁₉N
Molecular Weight:
189.30
Synonyms:
UKRORGSYN-BB BBV-119979
SMILES:
CC1=CC=C(C=C1)CNC2CCCC2
Tpsa:
12.03
Logp:
3.02722
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
3