AB04761
20357-30-6 | 4-Bromo-2-nitrocinnamic acid
Manufacturer: A2B Chem
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CatalogNumber
AB04761
ChemicalName
4-Bromo-2-nitrocinnamic acid
CasNumber
20357-30-6
MolecularFormula
C9H6BrNO4
MolecularWeight
272.0522
MdlNumber
MFCD08061925
Smiles
OC(=O)C=Cc1ccc(cc1[N+](=O)[O-])Br
Complexity
286
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.4
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CatalogNumber: AB04761
ChemicalName: 4-Bromo-2-nitrocinnamic acid
CasNumber: 20357-30-6
MolecularFormula: C9H6BrNO4
MolecularWeight: 272.0522
MdlNumber: MFCD08061925
Smiles: OC(=O)C=Cc1ccc(cc1[N+](=O)[O-])Br
Complexity: 286
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AB04761
ChemicalName:
4-Bromo-2-nitrocinnamic acid
CasNumber:
20357-30-6
MolecularFormula:
C9H6BrNO4
MolecularWeight:
272.0522
MdlNumber:
MFCD08061925
Smiles:
OC(=O)C=Cc1ccc(cc1[N+](=O)[O-])Br
Complexity:
286
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.4
CatalogNumber: AB04763
ChemicalName: 6-Nitroveratraldehyde
CasNumber: 20357-25-9
MolecularFormula: C9H9NO5
MolecularWeight: 211.17146000000002
MdlNumber: MFCD00007134
Smiles: COc1cc([N+](=O)[O-])c(cc1OC)C=O
Complexity: 239
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 1.2
CatalogNumber:
AB04763
ChemicalName:
6-Nitroveratraldehyde
CasNumber:
20357-25-9
MolecularFormula:
C9H9NO5
MolecularWeight:
211.17146000000002
MdlNumber:
MFCD00007134
Smiles:
COc1cc([N+](=O)[O-])c(cc1OC)C=O
Complexity:
239
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
1.2
CatalogNumber: AB04764
ChemicalName: 5-Methoxy-2-nitrobenzaldehyde
CasNumber: 20357-24-8
MolecularFormula: C8H7NO4
MolecularWeight: 181.1455
MdlNumber: MFCD00456498
Smiles: O=Cc1cc(OC)ccc1[N+](=O)[O-]
Complexity: 201
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AB04764
ChemicalName:
5-Methoxy-2-nitrobenzaldehyde
CasNumber:
20357-24-8
MolecularFormula:
C8H7NO4
MolecularWeight:
181.1455
MdlNumber:
MFCD00456498
Smiles:
O=Cc1cc(OC)ccc1[N+](=O)[O-]
Complexity:
201
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: AB04765
ChemicalName: 4-Methyl-2-nitrobenzaldehyde
CasNumber: 20357-22-6
MolecularFormula: C8H7NO3
MolecularWeight: 165.1461
MdlNumber: MFCD08669895
Smiles: O=Cc1ccc(cc1[N+](=O)[O-])C
Complexity: 187
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 1.6
CatalogNumber:
AB04765
ChemicalName:
4-Methyl-2-nitrobenzaldehyde
CasNumber:
20357-22-6
MolecularFormula:
C8H7NO3
MolecularWeight:
165.1461
MdlNumber:
MFCD08669895
Smiles:
O=Cc1ccc(cc1[N+](=O)[O-])C
Complexity:
187
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
1.6