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Home > Nitro Compounds > 877036-86-7
877036-86-7 | Glycine, L-alanyl-N-[(2-nitrophenyl)methyl]-
CAS No: 877036-86-7 Catalog No: AG004JN6 MDL No:
Product Description
Catalog Number:
AG004JN6
Chemical Name:
Glycine, L-alanyl-N-[(2-nitrophenyl)methyl]-
CAS Number:
877036-86-7
Molecular Formula:
C12H15N3O5
Molecular Weight:
281.2646
IUPAC Name:
2-[[(2S)-2-aminopropanoyl]-[(2-nitrophenyl)methyl]amino]acetic acid
InChI:
InChI=1S/C12H15N3O5/c1-8(13)12(18)14(7-11(16)17)6-9-4-2-3-5-10(9)15(19)20/h2-5,8H,6-7,13H2,1H3,(H,16,17)/t8-/m0/s1
InChI Key:
DHKUTHFXYNELOK-QMMMGPOBSA-N
SMILES:
OC(=O)CN(C(=O)[C@@H](N)C)Cc1ccccc1[N+](=O)[O-]
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
281.101g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.268g/mol
Monoisotopic Mass:
281.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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