AB66987
6939-93-1 | 4-Bromoisophthalic acid
Manufacturer: A2B Chem
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CatalogNumber
AB66987
ChemicalName
4-Bromoisophthalic acid
CasNumber
6939-93-1
MolecularFormula
C8H5BrO4
MolecularWeight
245.0269
MdlNumber
MFCD00002404
Smiles
OC(=O)c1ccc(c(c1)C(=O)O)Br
NscNumber
38770
Complexity
228
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1.7
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CatalogNumber: AB66987
ChemicalName: 4-Bromoisophthalic acid
CasNumber: 6939-93-1
MolecularFormula: C8H5BrO4
MolecularWeight: 245.0269
MdlNumber: MFCD00002404
Smiles: OC(=O)c1ccc(c(c1)C(=O)O)Br
NscNumber: 38770
Complexity: 228
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AB66987
ChemicalName:
4-Bromoisophthalic acid
CasNumber:
6939-93-1
MolecularFormula:
C8H5BrO4
MolecularWeight:
245.0269
MdlNumber:
MFCD00002404
Smiles:
OC(=O)c1ccc(c(c1)C(=O)O)Br
NscNumber:
38770
Complexity:
228
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.7
CatalogNumber: AB66988
ChemicalName: 4-Bromoisoquinoline
CasNumber: 1532-97-4
MolecularFormula: C9H6BrN
MolecularWeight: 208.05463999999998
MdlNumber: MFCD00006904
Smiles: Brc1cncc2c1cccc2
NscNumber: 56333
Complexity: 138
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.8
CatalogNumber:
AB66988
ChemicalName:
4-Bromoisoquinoline
CasNumber:
1532-97-4
MolecularFormula:
C9H6BrN
MolecularWeight:
208.05463999999998
MdlNumber:
MFCD00006904
Smiles:
Brc1cncc2c1cccc2
NscNumber:
56333
Complexity:
138
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.8
CatalogNumber: AB66989
ChemicalName: 4-Bromomandelic acid
CasNumber: 6940-50-7
MolecularFormula: C8H7BrO3
MolecularWeight: 231.0434
MdlNumber: MFCD00004232
Smiles: OC(c1ccc(cc1)Br)C(=O)O
NscNumber: 60138
Complexity: 164
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AB66989
ChemicalName:
4-Bromomandelic acid
CasNumber:
6940-50-7
MolecularFormula:
C8H7BrO3
MolecularWeight:
231.0434
MdlNumber:
MFCD00004232
Smiles:
OC(c1ccc(cc1)Br)C(=O)O
NscNumber:
60138
Complexity:
164
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCc1ccc(cc1)C(=O)Br
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCc1ccc(cc1)C(=O)Br
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__