Name: Name:5-[(5-bromo-2-methoxyphenyl)methyl]-1H-1,2,3,4-tetrazole
Brand: Angene
SKU: AG019SXT
Rating: 90 (10 reviews)

5-[(5-bromo-2-methoxyphenyl)methyl]-1H-1,2,3,4-tetrazole

CAS No.:

1247522-13-9

Catalog Number:

AG019SXT

Molecular Formula:

C9H9BrN4O

Molecular Weight:

269.0980

Catalog Number:

AG019SXT

Chemical Name:

5-[(5-bromo-2-methoxyphenyl)methyl]-1H-1,2,3,4-tetrazole

CAS Number:

1247522-13-9

Molecular Formula:

C9H9BrN4O

Molecular Weight:

269.0980

MDL Number:

MFCD04113617

IUPAC Name:

5-[(5-bromo-2-methoxyphenyl)methyl]-2H-tetrazole

InChI:

InChI=1S/C9H9BrN4O/c1-15-8-3-2-7(10)4-6(8)5-9-11-13-14-12-9/h2-4H,5H2,1H3,(H,11,12,13,14)

InChI Key:

RJEFLZQZNLLQJY-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1Cc1nnn[nH]1)Br

Complexity:

207

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

267.996g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

269.102g/mol

Monoisotopic Mass:

267.996g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1