AB75568
77820-58-7 | Methyl 2-amino-3-chlorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB75568
ChemicalName
Methyl 2-amino-3-chlorobenzoate
CasNumber
77820-58-7
MolecularFormula
C8H8ClNO2
MolecularWeight
185.6076
MdlNumber
MFCD06797833
Smiles
COC(=O)c1cccc(c1N)Cl
Complexity
174
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.5
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CatalogNumber: AB75568
ChemicalName: Methyl 2-amino-3-chlorobenzoate
CasNumber: 77820-58-7
MolecularFormula: C8H8ClNO2
MolecularWeight: 185.6076
MdlNumber: MFCD06797833
Smiles: COC(=O)c1cccc(c1N)Cl
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AB75568
ChemicalName:
Methyl 2-amino-3-chlorobenzoate
CasNumber:
77820-58-7
MolecularFormula:
C8H8ClNO2
MolecularWeight:
185.6076
MdlNumber:
MFCD06797833
Smiles:
COC(=O)c1cccc(c1N)Cl
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.5
CatalogNumber: AB75569
ChemicalName: Methyl 2-amino-4-(2-chlorophenyl)pyrimidine-5-carboxylate
CasNumber: 1133115-68-0
MolecularFormula: C12H10ClN3O2
MolecularWeight: 263.6797
MdlNumber: MFCD11855882
Smiles: COC(=O)c1cnc(nc1c1ccccc1Cl)N
Complexity: 303
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2
CatalogNumber:
AB75569
ChemicalName:
Methyl 2-amino-4-(2-chlorophenyl)pyrimidine-5-carboxylate
CasNumber:
1133115-68-0
MolecularFormula:
C12H10ClN3O2
MolecularWeight:
263.6797
MdlNumber:
MFCD11855882
Smiles:
COC(=O)c1cnc(nc1c1ccccc1Cl)N
Complexity:
303
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cnc(nc1c1cccc(c1)Br)N
Complexity: 303
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cnc(nc1c1cccc(c1)Br)N
Complexity:
303
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.1
CatalogNumber: AB75571
ChemicalName: Methyl 2-amino-4-(3-methoxyphenyl)pyrimidine-5-carboxylate
CasNumber: 1187385-80-3
MolecularFormula: C13H13N3O3
MolecularWeight: 259.2606
MdlNumber: MFCD12756429
Smiles: COc1cccc(c1)c1nc(N)ncc1C(=O)OC
Complexity: 314
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.3
CatalogNumber:
AB75571
ChemicalName:
Methyl 2-amino-4-(3-methoxyphenyl)pyrimidine-5-carboxylate
CasNumber:
1187385-80-3
MolecularFormula:
C13H13N3O3
MolecularWeight:
259.2606
MdlNumber:
MFCD12756429
Smiles:
COc1cccc(c1)c1nc(N)ncc1C(=O)OC
Complexity:
314
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.3