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Home > Nitro Compounds > 13831-58-8
13831-58-8 | Carbamic acid, dimethyl-, 3-hydroxy-5-nitrophenyl ester (7CI,8CI,9CI)
CAS No: 13831-58-8 Catalog No: AG0018IM MDL No:
Product Description
Catalog Number:
AG0018IM
Chemical Name:
Carbamic acid, dimethyl-, 3-hydroxy-5-nitrophenyl ester (7CI,8CI,9CI)
CAS Number:
13831-58-8
Molecular Formula:
C9H10N2O5
Molecular Weight:
226.1861
IUPAC Name:
(3-hydroxy-5-nitrophenyl) N,N-dimethylcarbamate
InChI:
InChI=1S/C9H10N2O5/c1-10(2)9(13)16-8-4-6(11(14)15)3-7(12)5-8/h3-5,12H,1-2H3
InChI Key:
BILOSMALXANGCQ-UHFFFAOYSA-N
SMILES:
Oc1cc(OC(=O)N(C)C)cc(c1)[N+](=O)[O-]
NSC Number:
84543
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.059g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.188g/mol
Monoisotopic Mass:
226.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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