Name: Name:4-fluoro-5-(4-methyl-1,4-diazepan-1-yl)-2-nitrobenzoic acid
Brand: Angene
SKU: AG019EZU
Rating: 90 (10 reviews)

4-fluoro-5-(4-methyl-1,4-diazepan-1-yl)-2-nitrobenzoic acid

CAS No.:

1457539-36-4

Catalog Number:

AG019EZU

Molecular Formula:

C13H16FN3O4

Molecular Weight:

297.2822

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United States

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Catalog Number:

AG019EZU

Chemical Name:

4-fluoro-5-(4-methyl-1,4-diazepan-1-yl)-2-nitrobenzoic acid

CAS Number:

1457539-36-4

Molecular Formula:

C13H16FN3O4

Molecular Weight:

297.2822

MDL Number:

MFCD31652802

IUPAC Name:

4-fluoro-5-(4-methyl-1,4-diazepan-1-yl)-2-nitrobenzoic acid

InChI:

InChI=1S/C13H16FN3O4/c1-15-3-2-4-16(6-5-15)12-7-9(13(18)19)11(17(20)21)8-10(12)14/h7-8H,2-6H2,1H3,(H,18,19)

InChI Key:

SXCGGMFTWMKMAF-UHFFFAOYSA-N

SMILES:

CN1CCCN(CC1)c1cc(C(=O)O)c(cc1F)[N+](=O)[O-]

Complexity:

403

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

297.112g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

297.286g/mol

Monoisotopic Mass:

297.112g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

89.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.6