AI65685
98545-64-3 | Methyl 4-amino-2-bromobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AI65685
ChemicalName
Methyl 4-amino-2-bromobenzoate
CasNumber
98545-64-3
MolecularFormula
C8H8BrNO2
MolecularWeight
230.05862000000002
MdlNumber
MFCD00859376
Smiles
COC(=O)c1ccc(cc1Br)N
Complexity
174
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.8
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CatalogNumber: AI65685
ChemicalName: Methyl 4-amino-2-bromobenzoate
CasNumber: 98545-64-3
MolecularFormula: C8H8BrNO2
MolecularWeight: 230.05862000000002
MdlNumber: MFCD00859376
Smiles: COC(=O)c1ccc(cc1Br)N
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AI65685
ChemicalName:
Methyl 4-amino-2-bromobenzoate
CasNumber:
98545-64-3
MolecularFormula:
C8H8BrNO2
MolecularWeight:
230.05862000000002
MdlNumber:
MFCD00859376
Smiles:
COC(=O)c1ccc(cc1Br)N
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.8
CatalogNumber: AI65686
ChemicalName: 4-Bromo-3-nitro-5-methoxytoluene
CasNumber: 98545-65-4
MolecularFormula: C8H8BrNO3
MolecularWeight: 246.058
MdlNumber: MFCD18072853
Smiles: COc1cc(C)cc(c1Br)[N+](=O)[O-]
Complexity: 194
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.8
CatalogNumber:
AI65686
ChemicalName:
4-Bromo-3-nitro-5-methoxytoluene
CasNumber:
98545-65-4
MolecularFormula:
C8H8BrNO3
MolecularWeight:
246.058
MdlNumber:
MFCD18072853
Smiles:
COc1cc(C)cc(c1Br)[N+](=O)[O-]
Complexity:
194
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1sc(c(c1N)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1sc(c(c1N)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(C)nc(n1)C(=O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(C)nc(n1)C(=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__