AE24953
1099670-06-0 | (2E)-3-(4-Bromo-2-fluorophenyl)-2-cyanoprop-2-enoic acid
Manufacturer: A2B Chem
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CatalogNumber
AE24953
ChemicalName
(2E)-3-(4-Bromo-2-fluorophenyl)-2-cyanoprop-2-enoic acid
CasNumber
1099670-06-0
MolecularFormula
C10H5BrFNO2
MolecularWeight
270.0546
MdlNumber
MFCD11651131
Smiles
N#CC(=Cc1ccc(cc1F)Br)C(=O)O
Complexity
334
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedBondStereocenterCount
1
Xlogp3
2.6
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CatalogNumber: AE24953
ChemicalName: (2E)-3-(4-Bromo-2-fluorophenyl)-2-cyanoprop-2-enoic acid
CasNumber: 1099670-06-0
MolecularFormula: C10H5BrFNO2
MolecularWeight: 270.0546
MdlNumber: MFCD11651131
Smiles: N#CC(=Cc1ccc(cc1F)Br)C(=O)O
Complexity: 334
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedBondStereocenterCount: 1
Xlogp3: 2.6
CatalogNumber:
AE24953
ChemicalName:
(2E)-3-(4-Bromo-2-fluorophenyl)-2-cyanoprop-2-enoic acid
CasNumber:
1099670-06-0
MolecularFormula:
C10H5BrFNO2
MolecularWeight:
270.0546
MdlNumber:
MFCD11651131
Smiles:
N#CC(=Cc1ccc(cc1F)Br)C(=O)O
Complexity:
334
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedBondStereocenterCount:
1
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cc(ccc1F)c1ccc(cc1)OC(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedBondStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cc(ccc1F)c1ccc(cc1)OC(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedBondStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AE24955
ChemicalName: 2-Bromo-5-nitro-4-trifluoromethoxyaniline
CasNumber: 1174005-83-4
MolecularFormula: C7H4BrF3N2O3
MolecularWeight: 301.0175
MdlNumber: MFCD18783114
Smiles: [O-][N+](=O)c1cc(N)c(cc1OC(F)(F)F)Br
Complexity: 271
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedBondStereocenterCount: __
Xlogp3: 2.9
CatalogNumber:
AE24955
ChemicalName:
2-Bromo-5-nitro-4-trifluoromethoxyaniline
CasNumber:
1174005-83-4
MolecularFormula:
C7H4BrF3N2O3
MolecularWeight:
301.0175
MdlNumber:
MFCD18783114
Smiles:
[O-][N+](=O)c1cc(N)c(cc1OC(F)(F)F)Br
Complexity:
271
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedBondStereocenterCount:
__
Xlogp3:
2.9
CatalogNumber: AE24956
ChemicalName: 7-Bromo-[1,2,3,4]tetrazolo[1,5-a]pyridine
CasNumber: 1130816-25-9
MolecularFormula: C5H3BrN4
MolecularWeight: 199.0081
MdlNumber: MFCD19684133
Smiles: Brc1ccn2c(c1)nnn2
Complexity: 131
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedBondStereocenterCount: __
Xlogp3: 0.6
CatalogNumber:
AE24956
ChemicalName:
7-Bromo-[1,2,3,4]tetrazolo[1,5-a]pyridine
CasNumber:
1130816-25-9
MolecularFormula:
C5H3BrN4
MolecularWeight:
199.0081
MdlNumber:
MFCD19684133
Smiles:
Brc1ccn2c(c1)nnn2
Complexity:
131
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedBondStereocenterCount:
__
Xlogp3:
0.6