AA99778
177171-13-0 | Methyl 3-(2-aminophenyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AA99778
ChemicalName
Methyl 3-(2-aminophenyl)benzoate
CasNumber
177171-13-0
MolecularFormula
C14H13NO2
MolecularWeight
227.2585
MdlNumber
MFCD04039108
Smiles
COC(=O)c1cccc(c1)c1ccccc1N
Complexity
267
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.7
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CatalogNumber: AA99778
ChemicalName: Methyl 3-(2-aminophenyl)benzoate
CasNumber: 177171-13-0
MolecularFormula: C14H13NO2
MolecularWeight: 227.2585
MdlNumber: MFCD04039108
Smiles: COC(=O)c1cccc(c1)c1ccccc1N
Complexity: 267
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AA99778
ChemicalName:
Methyl 3-(2-aminophenyl)benzoate
CasNumber:
177171-13-0
MolecularFormula:
C14H13NO2
MolecularWeight:
227.2585
MdlNumber:
MFCD04039108
Smiles:
COC(=O)c1cccc(c1)c1ccccc1N
Complexity:
267
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CCCCC(=C)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CCCCC(=C)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: F[B-](F)(F)F.CN1c2ccccc2C(C1=CC=C1CCC(=CC=C2N(C)c3c(C2(C)C)cccc3)C1=[N+](c1ccccc1)c1ccccc1)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
F[B-](F)(F)F.CN1c2ccccc2C(C1=CC=C1CCC(=CC=C2N(C)c3c(C2(C)C)cccc3)C1=[N+](c1ccccc1)c1ccccc1)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA99781
ChemicalName: 6-Bromo-2-chloromethyl-1H-quinazolin-4-one
CasNumber: 177167-05-4
MolecularFormula: C9H6BrClN2O
MolecularWeight: 273.5137
MdlNumber: MFCD06347511
Smiles: ClCc1nc2ccc(cc2c(=O)[nH]1)Br
Complexity: 282
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AA99781
ChemicalName:
6-Bromo-2-chloromethyl-1H-quinazolin-4-one
CasNumber:
177167-05-4
MolecularFormula:
C9H6BrClN2O
MolecularWeight:
273.5137
MdlNumber:
MFCD06347511
Smiles:
ClCc1nc2ccc(cc2c(=O)[nH]1)Br
Complexity:
282
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2