AF65043
223519-11-7 | Methyl 3-amino-5-bromo-4-methylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AF65043
ChemicalName
Methyl 3-amino-5-bromo-4-methylbenzoate
CasNumber
223519-11-7
MolecularFormula
C9H10BrNO2
MolecularWeight
244.0852
MdlNumber
MFCD07773038
Smiles
COC(=O)c1cc(N)c(c(c1)Br)C
Complexity
198
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.1
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CatalogNumber: AF65043
ChemicalName: Methyl 3-amino-5-bromo-4-methylbenzoate
CasNumber: 223519-11-7
MolecularFormula: C9H10BrNO2
MolecularWeight: 244.0852
MdlNumber: MFCD07773038
Smiles: COC(=O)c1cc(N)c(c(c1)Br)C
Complexity: 198
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AF65043
ChemicalName:
Methyl 3-amino-5-bromo-4-methylbenzoate
CasNumber:
223519-11-7
MolecularFormula:
C9H10BrNO2
MolecularWeight:
244.0852
MdlNumber:
MFCD07773038
Smiles:
COC(=O)c1cc(N)c(c(c1)Br)C
Complexity:
198
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cc(I)c(c(c1)[N+](=O)[O-])C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COC(=O)c1cc(I)c(c(c1)[N+](=O)[O-])C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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MolecularFormula: __
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Smiles: O=C(OC(C)(C)C)N[C@@H]1CN(C[C@H]1NC(=O)OC(C)(C)C)Cc1ccccc1
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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MdlNumber:
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Smiles:
O=C(OC(C)(C)C)N[C@@H]1CN(C[C@H]1NC(=O)OC(C)(C)C)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CN1CCS(=O)CC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CN1CCS(=O)CC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__