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773125-87-4 | 2-Furanpropanoic acid, b-amino-5-(4-bromophenyl)-
CAS No: 773125-87-4 Catalog No: AG005CUR MDL No:
Product Description
Catalog Number:
AG005CUR
Chemical Name:
2-Furanpropanoic acid, b-amino-5-(4-bromophenyl)-
CAS Number:
773125-87-4
Molecular Formula:
C13H12BrNO3
Molecular Weight:
310.1433
IUPAC Name:
3-amino-3-[5-(4-bromophenyl)furan-2-yl]propanoic acid
InChI:
InChI=1S/C13H12BrNO3/c14-9-3-1-8(2-4-9)11-5-6-12(18-11)10(15)7-13(16)17/h1-6,10H,7,15H2,(H,16,17)
InChI Key:
FVEJIZQGYQSIOE-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1ccc(o1)c1ccc(cc1)Br)N
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.147g/mol
Monoisotopic Mass:
309g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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