AI59302
885522-78-1 | Methyl 4-chloro-1h-indole-6-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI59302
ChemicalName
Methyl 4-chloro-1h-indole-6-carboxylate
CasNumber
885522-78-1
MolecularFormula
C10H8ClNO2
MolecularWeight
209.629
MdlNumber
MFCD07781543
Smiles
COC(=O)c1cc(Cl)c2c(c1)[nH]cc2
Complexity
234
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.5
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CatalogNumber: AI59302
ChemicalName: Methyl 4-chloro-1h-indole-6-carboxylate
CasNumber: 885522-78-1
MolecularFormula: C10H8ClNO2
MolecularWeight: 209.629
MdlNumber: MFCD07781543
Smiles: COC(=O)c1cc(Cl)c2c(c1)[nH]cc2
Complexity: 234
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AI59302
ChemicalName:
Methyl 4-chloro-1h-indole-6-carboxylate
CasNumber:
885522-78-1
MolecularFormula:
C10H8ClNO2
MolecularWeight:
209.629
MdlNumber:
MFCD07781543
Smiles:
COC(=O)c1cc(Cl)c2c(c1)[nH]cc2
Complexity:
234
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.5
CatalogNumber: __
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MolecularFormula: __
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Smiles: Brc1cc(C(=O)O)c2c(c1)[nH][nH]c2=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
Brc1cc(C(=O)O)c2c(c1)[nH][nH]c2=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: O=C1COc2c(N1)cc(c(c2)[N+](=O)[O-])N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
O=C1COc2c(N1)cc(c(c2)[N+](=O)[O-])N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: CC(N=C(c1cccs1)Cl)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CC(N=C(c1cccs1)Cl)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__