AB61339
573-54-6 | 2-Bromo-3-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB61339
ChemicalName
2-Bromo-3-nitrobenzoic acid
CasNumber
573-54-6
MolecularFormula
C7H4BrNO4
MolecularWeight
246.015
MdlNumber
MFCD00074899
Smiles
OC(=O)c1cccc(c1Br)[N+](=O)[O-]
NscNumber
9006
Complexity
227
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.9
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CatalogNumber: AB61339
ChemicalName: 2-Bromo-3-nitrobenzoic acid
CasNumber: 573-54-6
MolecularFormula: C7H4BrNO4
MolecularWeight: 246.015
MdlNumber: MFCD00074899
Smiles: OC(=O)c1cccc(c1Br)[N+](=O)[O-]
NscNumber: 9006
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.9
CatalogNumber:
AB61339
ChemicalName:
2-Bromo-3-nitrobenzoic acid
CasNumber:
573-54-6
MolecularFormula:
C7H4BrNO4
MolecularWeight:
246.015
MdlNumber:
MFCD00074899
Smiles:
OC(=O)c1cccc(c1Br)[N+](=O)[O-]
NscNumber:
9006
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.9
CatalogNumber: AB61340
ChemicalName: 2-Bromo-3-nitrothiophene
CasNumber: 2161-96-8
MolecularFormula: C4H2BrNO2S
MolecularWeight: 208.03318
MdlNumber: MFCD04037319
Smiles: Brc1sccc1N(=O)=O
NscNumber: __
Complexity: 126
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.5
CatalogNumber:
AB61340
ChemicalName:
2-Bromo-3-nitrothiophene
CasNumber:
2161-96-8
MolecularFormula:
C4H2BrNO2S
MolecularWeight:
208.03318
MdlNumber:
MFCD04037319
Smiles:
Brc1sccc1N(=O)=O
NscNumber:
__
Complexity:
126
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.5
CatalogNumber: AB61341
ChemicalName: 2-Bromo-3-nitrotoluene
CasNumber: 41085-43-2
MolecularFormula: C7H6BrNO2
MolecularWeight: 216.032
MdlNumber: MFCD00134555
Smiles: O=N(=O)c1cccc(c1Br)C
NscNumber: 28584
Complexity: 157
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.8
CatalogNumber:
AB61341
ChemicalName:
2-Bromo-3-nitrotoluene
CasNumber:
41085-43-2
MolecularFormula:
C7H6BrNO2
MolecularWeight:
216.032
MdlNumber:
MFCD00134555
Smiles:
O=N(=O)c1cccc(c1Br)C
NscNumber:
28584
Complexity:
157
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCOc1cc(Br)c(cc1OC)C#N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCOc1cc(Br)c(cc1OC)C#N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__