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N2-Boc-N2-methyl-4-fluoro-o-phenylenediamine

N2-Boc-N2-methyl-4-fluoro-o-phenylenediamine - CAS 1627754-74-8

Name: N2-Boc-N2-methyl-4-fluoro-o-phenylenediamine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB011900
Product Name:	N2-Boc-N2-methyl-4-fluoro-o-phenylenediamine
CAS:	1627754-74-8
Synonyms:	N-(2-amino-5-fluorophenyl)-N-methylcarbamic acid tert-butyl ester; tert-butyl N-(2-amino-5-fluorophenyl)-N-methylcarbamate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl N-(2-amino-5-fluorophenyl)-N-methylcarbamate
Description:	N2-Boc-N2-methyl-4-fluoro-o-phenylenediamine (CAS# 1627754-74-8 ) is a useful research chemical.
Molecular Weight:	240.27
Molecular Formula:	C12H17FN2O2
Canonical SMILES:	CC(C)(C)OC(=O)N(C)C1=C(C=CC(=C1)F)N
InChI:	InChI=1S/C12H17FN2O2/c1-12(2,3)17-11(16)15(4)10-7-8(13)5-6-9(10)14/h5-7H,14H2,1-4H3
InChI Key:	NCYOSIATIARVSI-UHFFFAOYSA-N

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Complexity:	278
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	240.12740595
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	240.12740595
Rotatable Bond Count:	3
Topological Polar Surface Area:	55.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1