AB46453
22223-49-0 | Methyl 2-amino-3-methylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB46453
ChemicalName
Methyl 2-amino-3-methylbenzoate
CasNumber
22223-49-0
MolecularFormula
C9H11NO2
MolecularWeight
165.1891
MdlNumber
MFCD06200918
Smiles
COC(=O)c1cccc(c1N)C
Complexity
170
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2
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CatalogNumber: AB46453
ChemicalName: Methyl 2-amino-3-methylbenzoate
CasNumber: 22223-49-0
MolecularFormula: C9H11NO2
MolecularWeight: 165.1891
MdlNumber: MFCD06200918
Smiles: COC(=O)c1cccc(c1N)C
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2
CatalogNumber:
AB46453
ChemicalName:
Methyl 2-amino-3-methylbenzoate
CasNumber:
22223-49-0
MolecularFormula:
C9H11NO2
MolecularWeight:
165.1891
MdlNumber:
MFCD06200918
Smiles:
COC(=O)c1cccc(c1N)C
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2
CatalogNumber: AB46454
ChemicalName: Methyl 2-amino-3-nitrobenzoate
CasNumber: 57113-91-4
MolecularFormula: C8H8N2O4
MolecularWeight: 196.1601
MdlNumber: MFCD02093531
Smiles: COC(=O)c1cccc(c1N)[N+](=O)[O-]
Complexity: 238
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.5
CatalogNumber:
AB46454
ChemicalName:
Methyl 2-amino-3-nitrobenzoate
CasNumber:
57113-91-4
MolecularFormula:
C8H8N2O4
MolecularWeight:
196.1601
MdlNumber:
MFCD02093531
Smiles:
COC(=O)c1cccc(c1N)[N+](=O)[O-]
Complexity:
238
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.5
CatalogNumber: AB46455
ChemicalName: Methyl 2-aminoisonicotinate
CasNumber: 6937-03-7
MolecularFormula: C7H8N2O2
MolecularWeight: 152.15062
MdlNumber: MFCD04039316
Smiles: COC(=O)c1ccnc(c1)N
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
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
Complexity: 140
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccsc1N
Complexity:
140
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.7