AB47422
618-89-3 | Methyl 3-bromobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB47422
ChemicalName
Methyl 3-bromobenzoate
CasNumber
618-89-3
MolecularFormula
C8H7BrO2
MolecularWeight
215.044
MdlNumber
MFCD00017777
Smiles
COC(=O)c1cccc(c1)Br
NscNumber
7319
Complexity
147
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
2.9
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CatalogNumber: AB47422
ChemicalName: Methyl 3-bromobenzoate
CasNumber: 618-89-3
MolecularFormula: C8H7BrO2
MolecularWeight: 215.044
MdlNumber: MFCD00017777
Smiles: COC(=O)c1cccc(c1)Br
NscNumber: 7319
Complexity: 147
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AB47422
ChemicalName:
Methyl 3-bromobenzoate
CasNumber:
618-89-3
MolecularFormula:
C8H7BrO2
MolecularWeight:
215.044
MdlNumber:
MFCD00017777
Smiles:
COC(=O)c1cccc(c1)Br
NscNumber:
7319
Complexity:
147
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[Ti+4]
NscNumber: __
Complexity: 10.8
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[Ti+4]
NscNumber:
__
Complexity:
10.8
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCN(CCNC(=O)c1c(C)[nH]c(c1C)C=C1C(=O)Nc2c1cc(F)cc2)CC
NscNumber: __
Complexity: 636
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCN(CCNC(=O)c1c(C)[nH]c(c1C)C=C1C(=O)Nc2c1cc(F)cc2)CC
NscNumber:
__
Complexity:
636
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)Cc1cccc2c1oc1c(C)c(C)ccc1c2=O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)Cc1cccc2c1oc1c(C)c(C)ccc1c2=O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__