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1017789-68-2 | Benzenepropanoic acid, 3-bromo-β-[(2-phenylacetyl)amino]-
CAS No: 1017789-68-2 Catalog No: AG0005JV MDL No:
Product Description
Catalog Number:
AG0005JV
Chemical Name:
Benzenepropanoic acid, 3-bromo-β-[(2-phenylacetyl)amino]-
CAS Number:
1017789-68-2
Molecular Formula:
C17H16BrNO3
Molecular Weight:
362.2178
IUPAC Name:
3-(3-bromophenyl)-3-[(2-phenylacetyl)amino]propanoic acid
InChI:
InChI=1S/C17H16BrNO3/c18-14-8-4-7-13(10-14)15(11-17(21)22)19-16(20)9-12-5-2-1-3-6-12/h1-8,10,15H,9,11H2,(H,19,20)(H,21,22)
InChI Key:
JYOOBMKOMJYPHP-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1cccc(c1)Br)NC(=O)Cc1ccccc1
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.031g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
362.223g/mol
Monoisotopic Mass:
361.031g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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