AE39961
1268830-91-6 | Methyl 3-amino-6-fluoro-2-methoxybenzoate
Manufacturer: A2B Chem
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CatalogNumber
AE39961
ChemicalName
Methyl 3-amino-6-fluoro-2-methoxybenzoate
CasNumber
1268830-91-6
MolecularFormula
C9H10FNO3
MolecularWeight
199.179
MdlNumber
MFCD20703233
Smiles
COC(=O)c1c(F)ccc(c1OC)N
Complexity
212
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.2
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CatalogNumber: AE39961
ChemicalName: Methyl 3-amino-6-fluoro-2-methoxybenzoate
CasNumber: 1268830-91-6
MolecularFormula: C9H10FNO3
MolecularWeight: 199.179
MdlNumber: MFCD20703233
Smiles: COC(=O)c1c(F)ccc(c1OC)N
Complexity: 212
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.2
CatalogNumber:
AE39961
ChemicalName:
Methyl 3-amino-6-fluoro-2-methoxybenzoate
CasNumber:
1268830-91-6
MolecularFormula:
C9H10FNO3
MolecularWeight:
199.179
MdlNumber:
MFCD20703233
Smiles:
COC(=O)c1c(F)ccc(c1OC)N
Complexity:
212
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: COc1ccc(cc1O)c1cc(=O)c2c(o1)cc(c(c2O)I)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COc1ccc(cc1O)c1cc(=O)c2c(o1)cc(c(c2O)I)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CCC(C(C(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O)N)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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Smiles:
CCC(C(C(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O)N)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[O+]=C1C=CC(=c2oc3c(c2)n2c(=C(c4ccccc4)c4n([B-]2(F)F)c2CC(Oc2c4)c2ccc(cc2)OC)c3)C=C1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[O+]=C1C=CC(=c2oc3c(c2)n2c(=C(c4ccccc4)c4n([B-]2(F)F)c2CC(Oc2c4)c2ccc(cc2)OC)c3)C=C1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__