AB75949
35998-96-0 | Methyl 5-amino-2-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB75949
ChemicalName
Methyl 5-amino-2-nitrobenzoate
CasNumber
35998-96-0
MolecularFormula
C8H8N2O4
MolecularWeight
196.1601
MdlNumber
MFCD12913482
Smiles
[O-][N+](=O)c1ccc(cc1C(=O)OC)N
Complexity
238
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1
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CatalogNumber: AB75949
ChemicalName: Methyl 5-amino-2-nitrobenzoate
CasNumber: 35998-96-0
MolecularFormula: C8H8N2O4
MolecularWeight: 196.1601
MdlNumber: MFCD12913482
Smiles: [O-][N+](=O)c1ccc(cc1C(=O)OC)N
Complexity: 238
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1
CatalogNumber:
AB75949
ChemicalName:
Methyl 5-amino-2-nitrobenzoate
CasNumber:
35998-96-0
MolecularFormula:
C8H8N2O4
MolecularWeight:
196.1601
MdlNumber:
MFCD12913482
Smiles:
[O-][N+](=O)c1ccc(cc1C(=O)OC)N
Complexity:
238
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1sc(c(c1)[N+](=O)[O-])N
Complexity: 229
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1sc(c(c1)[N+](=O)[O-])N
Complexity:
229
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.8
CatalogNumber: AB75951
ChemicalName: Methyl 5-aminonicotinate
CasNumber: 36052-25-2
MolecularFormula: C7H8N2O2
MolecularWeight: 152.15062
MdlNumber: MFCD04038688
Smiles: COC(=O)c1cncc(c1)N
Complexity: 149
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AB75951
ChemicalName:
Methyl 5-aminonicotinate
CasNumber:
36052-25-2
MolecularFormula:
C7H8N2O2
MolecularWeight:
152.15062
MdlNumber:
MFCD04038688
Smiles:
COC(=O)c1cncc(c1)N
Complexity:
149
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: AB75952
ChemicalName: Methyl 1,3-benzoxazole-5-carboxylate
CasNumber: 924869-17-0
MolecularFormula: C9H7NO3
MolecularWeight: 177.1568
MdlNumber: MFCD08689687
Smiles: COC(=O)c1ccc2c(c1)nco2
Complexity: 207
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AB75952
ChemicalName:
Methyl 1,3-benzoxazole-5-carboxylate
CasNumber:
924869-17-0
MolecularFormula:
C9H7NO3
MolecularWeight:
177.1568
MdlNumber:
MFCD08689687
Smiles:
COC(=O)c1ccc2c(c1)nco2
Complexity:
207
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
1.6