AB75741
21961-31-9 | Methyl 3-amino-5-chlorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB75741
ChemicalName
Methyl 3-amino-5-chlorobenzoate
CasNumber
21961-31-9
MolecularFormula
C8H8ClNO2
MolecularWeight
185.6076
MdlNumber
MFCD11053764
Smiles
COC(=O)c1cc(N)cc(c1)Cl
Complexity
174
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.1
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CatalogNumber: AB75741
ChemicalName: Methyl 3-amino-5-chlorobenzoate
CasNumber: 21961-31-9
MolecularFormula: C8H8ClNO2
MolecularWeight: 185.6076
MdlNumber: MFCD11053764
Smiles: COC(=O)c1cc(N)cc(c1)Cl
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AB75741
ChemicalName:
Methyl 3-amino-5-chlorobenzoate
CasNumber:
21961-31-9
MolecularFormula:
C8H8ClNO2
MolecularWeight:
185.6076
MdlNumber:
MFCD11053764
Smiles:
COC(=O)c1cc(N)cc(c1)Cl
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: AB75742
ChemicalName: Methyl 3-amino-5-hydroxybenzoate
CasNumber: 67973-80-2
MolecularFormula: C8H9NO3
MolecularWeight: 167.16196
MdlNumber: MFCD09263220
Smiles: COC(=O)c1cc(N)cc(c1)O
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AB75742
ChemicalName:
Methyl 3-amino-5-hydroxybenzoate
CasNumber:
67973-80-2
MolecularFormula:
C8H9NO3
MolecularWeight:
167.16196
MdlNumber:
MFCD09263220
Smiles:
COC(=O)c1cc(N)cc(c1)O
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.1
CatalogNumber: __
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Smiles: COC(=O)CCC(=O)c1ccccc1
Complexity: __
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Smiles:
COC(=O)CCC(=O)c1ccccc1
Complexity:
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RotatableBondCount:
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Smiles: COC(=O)c1ccc2c(c1)n(C)cc2Br
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Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
COC(=O)c1ccc2c(c1)n(C)cc2Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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