AG34949
55150-07-7 | methyl 5-chloro-2-(methylamino)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AG34949
ChemicalName
methyl 5-chloro-2-(methylamino)benzoate
CasNumber
55150-07-7
MolecularFormula
C9H10ClNO2
MolecularWeight
199.6342
MdlNumber
MFCD07439818
Smiles
COC(=O)c1cc(Cl)ccc1NC
Complexity
187
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
4
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CatalogNumber: AG34949
ChemicalName: methyl 5-chloro-2-(methylamino)benzoate
CasNumber: 55150-07-7
MolecularFormula: C9H10ClNO2
MolecularWeight: 199.6342
MdlNumber: MFCD07439818
Smiles: COC(=O)c1cc(Cl)ccc1NC
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 4
CatalogNumber:
AG34949
ChemicalName:
methyl 5-chloro-2-(methylamino)benzoate
CasNumber:
55150-07-7
MolecularFormula:
C9H10ClNO2
MolecularWeight:
199.6342
MdlNumber:
MFCD07439818
Smiles:
COC(=O)c1cc(Cl)ccc1NC
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
4
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: SCC1CC1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
SCC1CC1
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: Cc1ccc(cc1)/C/1=C/2\C=CC3=[N]2[Mn](Cl)[N]2=C(C=C/C/2=C(/c2n(c1cc2)C)\c1ccc(cc1)C)C(=c1n(c(=C3c2ccc(cc2)C)cc1)C)c1ccc(cc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Cc1ccc(cc1)/C/1=C/2\C=CC3=[N]2[Mn](Cl)[N]2=C(C=C/C/2=C(/c2n(c1cc2)C)\c1ccc(cc1)C)C(=c1n(c(=C3c2ccc(cc2)C)cc1)C)c1ccc(cc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularWeight: __
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Smiles: Clc1ccc(cc1)C1=C2C=CC3=C(c4ccc(cc4)Cl)C4=[N]5[Co+2]6([N-]23)[N]2=C1C=CC2=C(C1=CC=C([N-]61)C(=C5C=C4)c1ccc(cc1)Cl)c1ccc(cc1)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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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:
Clc1ccc(cc1)C1=C2C=CC3=C(c4ccc(cc4)Cl)C4=[N]5[Co+2]6([N-]23)[N]2=C1C=CC2=C(C1=CC=C([N-]61)C(=C5C=C4)c1ccc(cc1)Cl)c1ccc(cc1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__