AB75859
1131588-00-5 | Methyl 4-amino-5-bromo-2-methylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB75859
ChemicalName
Methyl 4-amino-5-bromo-2-methylbenzoate
CasNumber
1131588-00-5
MolecularFormula
C9H10BrNO2
MolecularWeight
244.0852
MdlNumber
MFCD11112991
Smiles
COC(=O)c1cc(Br)c(cc1C)N
Complexity
198
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.1
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CatalogNumber: AB75859
ChemicalName: Methyl 4-amino-5-bromo-2-methylbenzoate
CasNumber: 1131588-00-5
MolecularFormula: C9H10BrNO2
MolecularWeight: 244.0852
MdlNumber: MFCD11112991
Smiles: COC(=O)c1cc(Br)c(cc1C)N
Complexity: 198
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AB75859
ChemicalName:
Methyl 4-amino-5-bromo-2-methylbenzoate
CasNumber:
1131588-00-5
MolecularFormula:
C9H10BrNO2
MolecularWeight:
244.0852
MdlNumber:
MFCD11112991
Smiles:
COC(=O)c1cc(Br)c(cc1C)N
Complexity:
198
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: AB75860
ChemicalName: Methyl 4-benzylmorpholine-3-carboxylate
CasNumber: 212650-44-7
MolecularFormula: C13H17NO3
MolecularWeight: 235.279
MdlNumber: MFCD09756515
Smiles: COC(=O)C1COCCN1Cc1ccccc1
Complexity: 251
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 1.3
CatalogNumber:
AB75860
ChemicalName:
Methyl 4-benzylmorpholine-3-carboxylate
CasNumber:
212650-44-7
MolecularFormula:
C13H17NO3
MolecularWeight:
235.279
MdlNumber:
MFCD09756515
Smiles:
COC(=O)C1COCCN1Cc1ccccc1
Complexity:
251
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C1COCC(=O)N1Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C1COCC(=O)N1Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C1OCCN(C1)Cc1ccccc1.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C1OCCN(C1)Cc1ccccc1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__