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1260764-95-1 | Carbamic acid, N-(2-bromo-3-nitrophenyl)-, 1,1-dimethylethyl ester
CAS No: 1260764-95-1 Catalog No: AG000R6R MDL No:
Product Description
Catalog Number:
AG000R6R
Chemical Name:
Carbamic acid, N-(2-bromo-3-nitrophenyl)-, 1,1-dimethylethyl ester
CAS Number:
1260764-95-1
Molecular Formula:
C11H13BrN2O4
Molecular Weight:
317.1359
IUPAC Name:
tert-butyl N-(2-bromo-3-nitrophenyl)carbamate
InChI:
InChI=1S/C11H13BrN2O4/c1-11(2,3)18-10(15)13-7-5-4-6-8(9(7)12)14(16)17/h4-6H,1-3H3,(H,13,15)
InChI Key:
YYABASCFCIBINY-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1Br)[N+](=O)[O-])OC(C)(C)C
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.006g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.139g/mol
Monoisotopic Mass:
316.006g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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