AF32732
256935-85-0 | Methyl 4-amino-2-chloro-5-iodobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AF32732
ChemicalName
Methyl 4-amino-2-chloro-5-iodobenzoate
CasNumber
256935-85-0
MolecularFormula
C8H7ClINO2
MolecularWeight
311.5042
MdlNumber
MFCD09260863
Smiles
COC(=O)c1cc(I)c(cc1Cl)N
Complexity
203
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.4
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CatalogNumber: AF32732
ChemicalName: Methyl 4-amino-2-chloro-5-iodobenzoate
CasNumber: 256935-85-0
MolecularFormula: C8H7ClINO2
MolecularWeight: 311.5042
MdlNumber: MFCD09260863
Smiles: COC(=O)c1cc(I)c(cc1Cl)N
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AF32732
ChemicalName:
Methyl 4-amino-2-chloro-5-iodobenzoate
CasNumber:
256935-85-0
MolecularFormula:
C8H7ClINO2
MolecularWeight:
311.5042
MdlNumber:
MFCD09260863
Smiles:
COC(=O)c1cc(I)c(cc1Cl)N
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.4
CatalogNumber: __
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Smiles: Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1N=Cc1ccccc1NS(=O)(=O)c1ccc(cc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1N=Cc1ccccc1NS(=O)(=O)c1ccc(cc1)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: c1ncc[nH]1.c1[nH]cc[nH+]1.CS(=O)C.[Cl-].[Cl-].[Cl-].[Cl-].[Ru+3]
Complexity: __
Covalently-bondedUnitCount: __
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HydrogenBondDonorCount: __
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Smiles:
c1ncc[nH]1.c1[nH]cc[nH+]1.CS(=O)C.[Cl-].[Cl-].[Cl-].[Cl-].[Ru+3]
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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Smiles: OC[C@@H](C(=O)Nc1cc(C=Cc2cc(OC)c(c(c2)OC)OC)ccc1OC)N.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@@H](C(=O)Nc1cc(C=Cc2cc(OC)c(c(c2)OC)OC)ccc1OC)N.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__