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81740-18-3 | 1-N-Boc-3-Fluoroaniline
CAS No: 81740-18-3 Catalog No: AG005188 MDL No:MFCD04035656
Product Description
Catalog Number:
AG005188
Chemical Name:
1-N-Boc-3-Fluoroaniline
CAS Number:
81740-18-3
Molecular Formula:
C11H14FNO2
Molecular Weight:
211.2328
MDL Number:
MFCD04035656
IUPAC Name:
tert-butyl N-(3-fluorophenyl)carbamate
InChI:
InChI=1S/C11H14FNO2/c1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9/h4-7H,1-3H3,(H,13,14)
InChI Key:
ZTELOKGOCXECBW-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1cccc(c1)F
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.101g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.236g/mol
Monoisotopic Mass:
211.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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