AV18551
1032667-87-0 | Methyl 2-amino-5-cyano-3-methylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AV18551
ChemicalName
Methyl 2-amino-5-cyano-3-methylbenzoate
CasNumber
1032667-87-0
MolecularFormula
C10H10N2O2
MolecularWeight
190.1986
MdlNumber
MFCD20697055
Smiles
COC(=O)c1cc(C#N)cc(c1N)C
Complexity
269
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.7
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CatalogNumber: AV18551
ChemicalName: Methyl 2-amino-5-cyano-3-methylbenzoate
CasNumber: 1032667-87-0
MolecularFormula: C10H10N2O2
MolecularWeight: 190.1986
MdlNumber: MFCD20697055
Smiles: COC(=O)c1cc(C#N)cc(c1N)C
Complexity: 269
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AV18551
ChemicalName:
Methyl 2-amino-5-cyano-3-methylbenzoate
CasNumber:
1032667-87-0
MolecularFormula:
C10H10N2O2
MolecularWeight:
190.1986
MdlNumber:
MFCD20697055
Smiles:
COC(=O)c1cc(C#N)cc(c1N)C
Complexity:
269
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.7
CatalogNumber: AV18552
ChemicalName: 7-Nitrophthalide
CasNumber: 42760-46-3
MolecularFormula: C8H5NO4
MolecularWeight: 179.1296
MdlNumber: MFCD02091631
Smiles: [O-][N+](=O)c1cccc2c1C(=O)OC2
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.2
CatalogNumber:
AV18552
ChemicalName:
7-Nitrophthalide
CasNumber:
42760-46-3
MolecularFormula:
C8H5NO4
MolecularWeight:
179.1296
MdlNumber:
MFCD02091631
Smiles:
[O-][N+](=O)c1cccc2c1C(=O)OC2
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.2
CatalogNumber: AV18554
ChemicalName: 6-(Benzyloxy)quinoline-2,4-dicarboxylic acid
CasNumber: 250641-16-8
MolecularFormula: C18H13NO5
MolecularWeight: 323.2995
MdlNumber: MFCD30185857
Smiles: OC(=O)c1cc(nc2c1cc(OCc1ccccc1)cc2)C(=O)O
Complexity: 462
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 3
CatalogNumber:
AV18554
ChemicalName:
6-(Benzyloxy)quinoline-2,4-dicarboxylic acid
CasNumber:
250641-16-8
MolecularFormula:
C18H13NO5
MolecularWeight:
323.2995
MdlNumber:
MFCD30185857
Smiles:
OC(=O)c1cc(nc2c1cc(OCc1ccccc1)cc2)C(=O)O
Complexity:
462
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Ic1ncc2c(n1)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Ic1ncc2c(n1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__