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Home > Nitro Compounds > 102110-09-8
102110-09-8 | D-Valine, N-(3,5-dinitrobenzoyl)-3-methyl-
CAS No: 102110-09-8 Catalog No: AG0006MW MDL No:
Product Description
Catalog Number:
AG0006MW
Chemical Name:
D-Valine, N-(3,5-dinitrobenzoyl)-3-methyl-
CAS Number:
102110-09-8
Molecular Formula:
C13H15N3O7
Molecular Weight:
325.2741
IUPAC Name:
2-[(3,5-dinitrobenzoyl)amino]-3,3-dimethylbutanoic acid
InChI:
InChI=1S/C13H15N3O7/c1-13(2,3)10(12(18)19)14-11(17)7-4-8(15(20)21)6-9(5-7)16(22)23/h4-6,10H,1-3H3,(H,14,17)(H,18,19)
InChI Key:
REDWBJOXLLTWBG-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@H](C(C)(C)C)NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.091g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
325.277g/mol
Monoisotopic Mass:
325.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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