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113402-16-7 | Phenylalanine, N-[[(4-bromophenyl)amino]carbonyl]-
CAS No: 113402-16-7 Catalog No: AG0008GS MDL No:
Product Description
Catalog Number:
AG0008GS
Chemical Name:
Phenylalanine, N-[[(4-bromophenyl)amino]carbonyl]-
CAS Number:
113402-16-7
Molecular Formula:
C16H15BrN2O3
Molecular Weight:
363.2059
IUPAC Name:
2-[(4-bromophenyl)carbamoylamino]-3-phenylpropanoic acid
InChI:
InChI=1S/C16H15BrN2O3/c17-12-6-8-13(9-7-12)18-16(22)19-14(15(20)21)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,20,21)(H2,18,19,22)
InChI Key:
ZCVLAKQKEWQJAO-UHFFFAOYSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1ccccc1)Nc1ccc(cc1)Br
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.027g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
363.211g/mol
Monoisotopic Mass:
362.027g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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