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503524-47-8 | tert-butyl (4-chloro-3-nitrophenyl)carbamate
CAS No: 503524-47-8 Catalog No: AG01FAS0 MDL No:
Product Description
Catalog Number:
AG01FAS0
Chemical Name:
tert-butyl (4-chloro-3-nitrophenyl)carbamate
CAS Number:
503524-47-8
Molecular Formula:
C11H13ClN2O4
Molecular Weight:
272.6849
IUPAC Name:
tert-butyl N-(4-chloro-3-nitrophenyl)carbamate
InChI:
InChI=1S/C11H13ClN2O4/c1-11(2,3)18-10(15)13-7-4-5-8(12)9(6-7)14(16)17/h4-6H,1-3H3,(H,13,15)
InChI Key:
QSPZPPNAGGOCFE-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc(c(c1)[N+](=O)[O-])Cl
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.056g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.685g/mol
Monoisotopic Mass:
272.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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