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Home > Nitro Compounds > 97557-59-0
97557-59-0 | Carbonic acid, (4-methylphenyl)methyl 4-nitrophenyl ester
CAS No: 97557-59-0 Catalog No: AG00H8CB MDL No:
Product Description
Catalog Number:
AG00H8CB
Chemical Name:
Carbonic acid, (4-methylphenyl)methyl 4-nitrophenyl ester
CAS Number:
97557-59-0
Molecular Formula:
C15H13NO5
Molecular Weight:
287.2674
IUPAC Name:
(4-methylphenyl)methyl (4-nitrophenyl) carbonate
InChI:
InChI=1S/C15H13NO5/c1-11-2-4-12(5-3-11)10-20-15(17)21-14-8-6-13(7-9-14)16(18)19/h2-9H,10H2,1H3
InChI Key:
SQARJUVHPHSOSH-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccc(cc1)[N+](=O)[O-])OCc1ccc(cc1)C
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.079g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.271g/mol
Monoisotopic Mass:
287.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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