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116784-97-5 | Carbamic acid, N-(6-bromohexyl)-, phenylmethyl ester
CAS No: 116784-97-5 Catalog No: AG000D87 MDL No:MFCD08436190
Product Description
Catalog Number:
AG000D87
Chemical Name:
Carbamic acid, N-(6-bromohexyl)-, phenylmethyl ester
CAS Number:
116784-97-5
Molecular Formula:
C14H20BrNO2
Molecular Weight:
314.2181
MDL Number:
MFCD08436190
IUPAC Name:
benzyl N-(6-bromohexyl)carbamate
InChI:
InChI=1S/C14H20BrNO2/c15-10-6-1-2-7-11-16-14(17)18-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2,(H,16,17)
InChI Key:
RXHBKEAMZCXXSJ-UHFFFAOYSA-N
SMILES:
BrCCCCCCNC(=O)OCc1ccccc1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.068g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.223g/mol
Monoisotopic Mass:
313.068g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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