AB75585
850429-60-6 | Methyl 2-amino-5-bromothiazole-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB75585
ChemicalName
Methyl 2-amino-5-bromothiazole-4-carboxylate
CasNumber
850429-60-6
MolecularFormula
C5H5BrN2O2S
MolecularWeight
237.0744
MdlNumber
MFCD00137990
Smiles
COC(=O)c1nc(sc1Br)N
Complexity
169
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.8
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CatalogNumber: AB75585
ChemicalName: Methyl 2-amino-5-bromothiazole-4-carboxylate
CasNumber: 850429-60-6
MolecularFormula: C5H5BrN2O2S
MolecularWeight: 237.0744
MdlNumber: MFCD00137990
Smiles: COC(=O)c1nc(sc1Br)N
Complexity: 169
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AB75585
ChemicalName:
Methyl 2-amino-5-bromothiazole-4-carboxylate
CasNumber:
850429-60-6
MolecularFormula:
C5H5BrN2O2S
MolecularWeight:
237.0744
MdlNumber:
MFCD00137990
Smiles:
COC(=O)c1nc(sc1Br)N
Complexity:
169
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: AB75586
ChemicalName: Methyl 2-amino-5-iodobenzoate
CasNumber: 77317-55-6
MolecularFormula: C8H8INO2
MolecularWeight: 277.0591
MdlNumber: MFCD00798574
Smiles: COC(=O)c1cc(I)ccc1N
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AB75586
ChemicalName:
Methyl 2-amino-5-iodobenzoate
CasNumber:
77317-55-6
MolecularFormula:
C8H8INO2
MolecularWeight:
277.0591
MdlNumber:
MFCD00798574
Smiles:
COC(=O)c1cc(I)ccc1N
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cc(C)ccc1N
Complexity: 170
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc(C)ccc1N
Complexity:
170
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1c(N)cccc1[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1c(N)cccc1[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__