AB51054
478375-40-5 | Methyl 3-bromo-5-methylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB51054
ChemicalName
Methyl 3-bromo-5-methylbenzoate
CasNumber
478375-40-5
MolecularFormula
C9H9BrO2
MolecularWeight
229.0706
MdlNumber
MFCD11007827
Smiles
COC(=O)c1cc(C)cc(c1)Br
Complexity
170
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
2.8
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CatalogNumber: AB51054
ChemicalName: Methyl 3-bromo-5-methylbenzoate
CasNumber: 478375-40-5
MolecularFormula: C9H9BrO2
MolecularWeight: 229.0706
MdlNumber: MFCD11007827
Smiles: COC(=O)c1cc(C)cc(c1)Br
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AB51054
ChemicalName:
Methyl 3-bromo-5-methylbenzoate
CasNumber:
478375-40-5
MolecularFormula:
C9H9BrO2
MolecularWeight:
229.0706
MdlNumber:
MFCD11007827
Smiles:
COC(=O)c1cc(C)cc(c1)Br
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
2.8
CatalogNumber: AB51055
ChemicalName: 4(3H)-Pyrimidinone
CasNumber: 4562-27-0
MolecularFormula: C4H4N2O
MolecularWeight: 96.08736
MdlNumber: MFCD22042702
Smiles: O=c1ccnc[nH]1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB51055
ChemicalName:
4(3H)-Pyrimidinone
CasNumber:
4562-27-0
MolecularFormula:
C4H4N2O
MolecularWeight:
96.08736
MdlNumber:
MFCD22042702
Smiles:
O=c1ccnc[nH]1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB51056
ChemicalName: 3-Amino-5-bromobenzonitrile
CasNumber: 49674-16-0
MolecularFormula: C7H5BrN2
MolecularWeight: 197.032
MdlNumber: MFCD11109874
Smiles: N#Cc1cc(N)cc(c1)Br
Complexity: 160
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
Xlogp3: 1.7
CatalogNumber:
AB51056
ChemicalName:
3-Amino-5-bromobenzonitrile
CasNumber:
49674-16-0
MolecularFormula:
C7H5BrN2
MolecularWeight:
197.032
MdlNumber:
MFCD11109874
Smiles:
N#Cc1cc(N)cc(c1)Br
Complexity:
160
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
Xlogp3:
1.7
CatalogNumber: AB51057
ChemicalName: 3-Bromo-5-nitrobenzonitrile
CasNumber: 49674-15-9
MolecularFormula: C7H3BrN2O2
MolecularWeight: 227.0149
MdlNumber: MFCD00463804
Smiles: N#Cc1cc(Br)cc(c1)[N+](=O)[O-]
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
AB51057
ChemicalName:
3-Bromo-5-nitrobenzonitrile
CasNumber:
49674-15-9
MolecularFormula:
C7H3BrN2O2
MolecularWeight:
227.0149
MdlNumber:
MFCD00463804
Smiles:
N#Cc1cc(Br)cc(c1)[N+](=O)[O-]
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
__
Xlogp3:
2.2