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Home > Nitro Compounds > 1212864-47-5
1212864-47-5 | Boc-D-2,4-dinitrophenylalanine
CAS No: 1212864-47-5 Catalog No: AG00JKJN MDL No:MFCD08061617
Product Description
Catalog Number:
AG00JKJN
Chemical Name:
Boc-D-2,4-dinitrophenylalanine
CAS Number:
1212864-47-5
Molecular Formula:
C14H17N3O8
Molecular Weight:
355.3001
MDL Number:
MFCD08061617
IUPAC Name:
(2R)-3-(2,4-dinitrophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C14H17N3O8/c1-14(2,3)25-13(20)15-10(12(18)19)6-8-4-5-9(16(21)22)7-11(8)17(23)24/h4-5,7,10H,6H2,1-3H3,(H,15,20)(H,18,19)/t10-/m1/s1
InChI Key:
ANQMEPHYMTWCEW-SNVBAGLBSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H](C(=O)O)Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
355.102g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
355.303g/mol
Monoisotopic Mass:
355.102g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
167A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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