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164365-88-2 | Carbamic acid, N-(4-bromobutyl)-, 1,1-dimethylethyl ester
CAS No: 164365-88-2 Catalog No: AG001UU8 MDL No:MFCD06201020
Product Description
Catalog Number:
AG001UU8
Chemical Name:
Carbamic acid, N-(4-bromobutyl)-, 1,1-dimethylethyl ester
CAS Number:
164365-88-2
Molecular Formula:
C9H18BrNO2
Molecular Weight:
252.1487
MDL Number:
MFCD06201020
IUPAC Name:
tert-butyl N-(4-bromobutyl)carbamate
InChI:
InChI=1S/C9H18BrNO2/c1-9(2,3)13-8(12)11-7-5-4-6-10/h4-7H2,1-3H3,(H,11,12)
InChI Key:
GKGFAEREWWZBKY-UHFFFAOYSA-N
SMILES:
BrCCCCNC(=O)OC(C)(C)C
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.052g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.152g/mol
Monoisotopic Mass:
251.052g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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