AI61839
924668-99-5 | Methyl 5-fluoro-2-(methylamino)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AI61839
ChemicalName
Methyl 5-fluoro-2-(methylamino)benzoate
CasNumber
924668-99-5
MolecularFormula
C9H10FNO2
MolecularWeight
183.17960319999997
MdlNumber
MFCD17292015
Smiles
COC(=O)c1cc(F)ccc1NC
Complexity
187
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.4
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CatalogNumber: AI61839
ChemicalName: Methyl 5-fluoro-2-(methylamino)benzoate
CasNumber: 924668-99-5
MolecularFormula: C9H10FNO2
MolecularWeight: 183.17960319999997
MdlNumber: MFCD17292015
Smiles: COC(=O)c1cc(F)ccc1NC
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.4
CatalogNumber:
AI61839
ChemicalName:
Methyl 5-fluoro-2-(methylamino)benzoate
CasNumber:
924668-99-5
MolecularFormula:
C9H10FNO2
MolecularWeight:
183.17960319999997
MdlNumber:
MFCD17292015
Smiles:
COC(=O)c1cc(F)ccc1NC
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.4
CatalogNumber: __
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MolecularWeight: __
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Smiles: N#CC1=C(N)Oc2c(C1c1ccccc1)cc1c(c2)cccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
N#CC1=C(N)Oc2c(C1c1ccccc1)cc1c(c2)cccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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Smiles: C1=CC(=CC=C1N2C=C(C=N2)[N+](=O)[O-])F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
C1=CC(=CC=C1N2C=C(C=N2)[N+](=O)[O-])F
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: BrCCC(c1ccc(cc1)F)NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCCC(c1ccc(cc1)F)NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__