AB46455
6937-03-7 | Methyl 2-aminoisonicotinate
Manufacturer: A2B Chem
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CatalogNumber
AB46455
ChemicalName
Methyl 2-aminoisonicotinate
CasNumber
6937-03-7
MolecularFormula
C7H8N2O2
MolecularWeight
152.15062
MdlNumber
MFCD04039316
Smiles
COC(=O)c1ccnc(c1)N
NscNumber
40138
Complexity
149
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.3
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CatalogNumber: AB46455
ChemicalName: Methyl 2-aminoisonicotinate
CasNumber: 6937-03-7
MolecularFormula: C7H8N2O2
MolecularWeight: 152.15062
MdlNumber: MFCD04039316
Smiles: COC(=O)c1ccnc(c1)N
NscNumber: 40138
Complexity: 149
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.3
CatalogNumber:
AB46455
ChemicalName:
Methyl 2-aminoisonicotinate
CasNumber:
6937-03-7
MolecularFormula:
C7H8N2O2
MolecularWeight:
152.15062
MdlNumber:
MFCD04039316
Smiles:
COC(=O)c1ccnc(c1)N
NscNumber:
40138
Complexity:
149
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccsc1N
NscNumber: __
Complexity: 140
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccsc1N
NscNumber:
__
Complexity:
140
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.7
CatalogNumber: AB46457
ChemicalName: Methyl 2-bromo-4-fluorobenzoate
CasNumber: 653-92-9
MolecularFormula: C8H6BrFO2
MolecularWeight: 233.0344
MdlNumber: MFCD06204026
Smiles: COC(=O)c1ccc(cc1Br)F
NscNumber: __
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3.6
CatalogNumber:
AB46457
ChemicalName:
Methyl 2-bromo-4-fluorobenzoate
CasNumber:
653-92-9
MolecularFormula:
C8H6BrFO2
MolecularWeight:
233.0344
MdlNumber:
MFCD06204026
Smiles:
COC(=O)c1ccc(cc1Br)F
NscNumber:
__
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3.6
CatalogNumber: AB46458
ChemicalName: Methyl 2-bromo-5-methoxybenzoate
CasNumber: 35450-36-3
MolecularFormula: C9H9BrO3
MolecularWeight: 245.07
MdlNumber: MFCD00051594
Smiles: COc1ccc(c(c1)C(=O)OC)Br
NscNumber: __
Complexity: 184
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 3.5
CatalogNumber:
AB46458
ChemicalName:
Methyl 2-bromo-5-methoxybenzoate
CasNumber:
35450-36-3
MolecularFormula:
C9H9BrO3
MolecularWeight:
245.07
MdlNumber:
MFCD00051594
Smiles:
COc1ccc(c(c1)C(=O)OC)Br
NscNumber:
__
Complexity:
184
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
3.5