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Home > Nitro Compounds > 817172-67-1
817172-67-1 | Carbamic acid, butyl[(4-nitrophenyl)methyl]-, 1,1-dimethylethyl ester
CAS No: 817172-67-1 Catalog No: AG00518X MDL No:
Product Description
Catalog Number:
AG00518X
Chemical Name:
Carbamic acid, butyl[(4-nitrophenyl)methyl]-, 1,1-dimethylethyl ester
CAS Number:
817172-67-1
Molecular Formula:
C16H24N2O4
Molecular Weight:
308.3728
IUPAC Name:
tert-butyl N-butyl-N-[(4-nitrophenyl)methyl]carbamate
InChI:
InChI=1S/C16H24N2O4/c1-5-6-11-17(15(19)22-16(2,3)4)12-13-7-9-14(10-8-13)18(20)21/h7-10H,5-6,11-12H2,1-4H3
InChI Key:
WBVNHRSYGYTINK-UHFFFAOYSA-N
SMILES:
CCCCN(C(=O)OC(C)(C)C)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.174g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.378g/mol
Monoisotopic Mass:
308.174g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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