AC97997
6757-31-9 | Methyl 4-carbamoylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AC97997
ChemicalName
Methyl 4-carbamoylbenzoate
CasNumber
6757-31-9
MolecularFormula
C9H9NO3
MolecularWeight
179.1727
MdlNumber
MFCD00463146
Smiles
COC(=O)c1ccc(cc1)C(=O)N
Complexity
207
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.3
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CatalogNumber: AC97997
ChemicalName: Methyl 4-carbamoylbenzoate
CasNumber: 6757-31-9
MolecularFormula: C9H9NO3
MolecularWeight: 179.1727
MdlNumber: MFCD00463146
Smiles: COC(=O)c1ccc(cc1)C(=O)N
Complexity: 207
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.3
CatalogNumber:
AC97997
ChemicalName:
Methyl 4-carbamoylbenzoate
CasNumber:
6757-31-9
MolecularFormula:
C9H9NO3
MolecularWeight:
179.1727
MdlNumber:
MFCD00463146
Smiles:
COC(=O)c1ccc(cc1)C(=O)N
Complexity:
207
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.3
CatalogNumber: AC97998
ChemicalName: Methyl 2-cyano-3-(2-fluorophenyl)propanoate
CasNumber: 67571-38-4
MolecularFormula: C11H10FNO2
MolecularWeight: 207.201
MdlNumber: MFCD19316085
Smiles: N#CC(C(=O)OC)Cc1ccccc1F
Complexity: 271
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 2.1
CatalogNumber:
AC97998
ChemicalName:
Methyl 2-cyano-3-(2-fluorophenyl)propanoate
CasNumber:
67571-38-4
MolecularFormula:
C11H10FNO2
MolecularWeight:
207.201
MdlNumber:
MFCD19316085
Smiles:
N#CC(C(=O)OC)Cc1ccccc1F
Complexity:
271
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CNC(=O)C(O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CNC(=O)C(O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__