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Home > Nitro Compounds > 182114-34-7
182114-34-7 | L-Tyrosine, N-(4-cyano-2-nitrophenyl)-
CAS No: 182114-34-7 Catalog No: AG0023DM MDL No:MFCD04114475
Product Description
Catalog Number:
AG0023DM
Chemical Name:
L-Tyrosine, N-(4-cyano-2-nitrophenyl)-
CAS Number:
182114-34-7
Molecular Formula:
C16H13N3O5
Molecular Weight:
327.2915
MDL Number:
MFCD04114475
IUPAC Name:
(2S)-2-(4-cyano-2-nitroanilino)-3-(4-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C16H13N3O5/c17-9-11-3-6-13(15(8-11)19(23)24)18-14(16(21)22)7-10-1-4-12(20)5-2-10/h1-6,8,14,18,20H,7H2,(H,21,22)/t14-/m0/s1
InChI Key:
CSUSNCXDVUIPAQ-AWEZNQCLSA-N
SMILES:
N#Cc1ccc(c(c1)[N+](=O)[O-])N[C@H](C(=O)O)Cc1ccc(cc1)O
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
327.086g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
327.296g/mol
Monoisotopic Mass:
327.086g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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