Name: Name:1-(4-bromo-2-methylbenzoyl)piperidine-3-carboxylic acid
Brand: Angene
SKU: AG019S7J
Rating: 90 (10 reviews)

1-(4-bromo-2-methylbenzoyl)piperidine-3-carboxylic acid

CAS No.:

1156845-33-8

Catalog Number:

AG019S7J

Molecular Formula:

C14H16BrNO3

Molecular Weight:

326.1857

Catalog Number:

AG019S7J

Chemical Name:

1-(4-bromo-2-methylbenzoyl)piperidine-3-carboxylic acid

CAS Number:

1156845-33-8

Molecular Formula:

C14H16BrNO3

Molecular Weight:

326.1857

MDL Number:

MFCD12491121

IUPAC Name:

1-(4-bromo-2-methylbenzoyl)piperidine-3-carboxylic acid

InChI:

InChI=1S/C14H16BrNO3/c1-9-7-11(15)4-5-12(9)13(17)16-6-2-3-10(8-16)14(18)19/h4-5,7,10H,2-3,6,8H2,1H3,(H,18,19)

InChI Key:

DALHCVVGQKBRGC-UHFFFAOYSA-N

SMILES:

OC(=O)C1CCCN(C1)C(=O)c1ccc(cc1C)Br

Complexity:

361

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

325.031g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

326.19g/mol

Monoisotopic Mass:

325.031g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5