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Home > Nitro Compounds > 88310-38-7
88310-38-7 | Carbamic acid, 1-butenyl-, 4-nitrophenyl ester
CAS No: 88310-38-7 Catalog No: AG0048NR MDL No:
Product Description
Catalog Number:
AG0048NR
Chemical Name:
Carbamic acid, 1-butenyl-, 4-nitrophenyl ester
CAS Number:
88310-38-7
Molecular Formula:
C11H12N2O4
Molecular Weight:
236.2240
IUPAC Name:
(4-nitrophenyl) N-but-1-enylcarbamate
InChI:
InChI=1S/C11H12N2O4/c1-2-3-8-12-11(14)17-10-6-4-9(5-7-10)13(15)16/h3-8H,2H2,1H3,(H,12,14)
InChI Key:
KXPJEVDXWVQZLP-UHFFFAOYSA-N
SMILES:
CCC=CNC(=O)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.227g/mol
Monoisotopic Mass:
236.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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