AG65641
63746-12-3 | Dimethyl 4-aminoisophthalate
Manufacturer: A2B Chem
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CatalogNumber
AG65641
ChemicalName
Dimethyl 4-aminoisophthalate
CasNumber
63746-12-3
MolecularFormula
C10H11NO4
MolecularWeight
209.1986
MdlNumber
MFCD12674801
Smiles
COC(=O)c1ccc(c(c1)C(=O)OC)N
Complexity
254
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.5
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CatalogNumber: AG65641
ChemicalName: Dimethyl 4-aminoisophthalate
CasNumber: 63746-12-3
MolecularFormula: C10H11NO4
MolecularWeight: 209.1986
MdlNumber: MFCD12674801
Smiles: COC(=O)c1ccc(c(c1)C(=O)OC)N
Complexity: 254
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.5
CatalogNumber:
AG65641
ChemicalName:
Dimethyl 4-aminoisophthalate
CasNumber:
63746-12-3
MolecularFormula:
C10H11NO4
MolecularWeight:
209.1986
MdlNumber:
MFCD12674801
Smiles:
COC(=O)c1ccc(c(c1)C(=O)OC)N
Complexity:
254
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.5
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Smiles: CSc1nc(=O)c(c[nH]1)Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CSc1nc(=O)c(c[nH]1)Cl
Complexity:
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HydrogenBondAcceptorCount:
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Smiles: FC(c1ccc(cc1)C1CCNCC1)(F)F.Cl
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Smiles:
FC(c1ccc(cc1)C1CCNCC1)(F)F.Cl
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: COc1ccc2c(c1)c(c[nH]2)C1CCNCC1.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc2c(c1)c(c[nH]2)C1CCNCC1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__