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113579-10-5 | Carbamic acid, (4-bromo-2-nitrophenyl)-, ethyl ester (9CI)
CAS No: 113579-10-5 Catalog No: AG000927 MDL No:
Product Description
Catalog Number:
AG000927
Chemical Name:
Carbamic acid, (4-bromo-2-nitrophenyl)-, ethyl ester (9CI)
CAS Number:
113579-10-5
Molecular Formula:
C9H9BrN2O4
Molecular Weight:
289.0828
IUPAC Name:
ethyl N-(4-bromo-2-nitrophenyl)carbamate
InChI:
InChI=1S/C9H9BrN2O4/c1-2-16-9(13)11-7-4-3-6(10)5-8(7)12(14)15/h3-5H,2H2,1H3,(H,11,13)
InChI Key:
AUUCTQRLISCVNQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)Nc1ccc(cc1[N+](=O)[O-])Br
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.975g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.085g/mol
Monoisotopic Mass:
287.975g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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