CAS 10269-01-9 | Benzenemethanamine, 3-bromo- | CAS Number 10269-01-9

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10269-01-9 | Benzenemethanamine, 3-bromo-

CAS No: 10269-01-9 Catalog No: AG000853 MDL No:MFCD01026119

Product Description

Catalog Number:

AG000853

Chemical Name:

Benzenemethanamine, 3-bromo-

CAS Number:

10269-01-9

Molecular Formula:

C7H8BrN

Molecular Weight:

186.0491

MDL Number:

MFCD01026119

IUPAC Name:

(3-bromophenyl)methanamine

InChI:

InChI=1S/C7H8BrN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2

InChI Key:

SUYJXERPRICYRX-UHFFFAOYSA-N

SMILES:

NCc1cccc(c1)Br

Properties

Complexity:

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

184.984g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

186.052g/mol

Monoisotopic Mass:

184.984g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
Selective nucleophilic chemistry in the synthesis of 5-carbamoyl-3-sulfanylmethylisoxazole-4-carboxylic acids.	Journal of combinatorial chemistry 20070101
Benzylamines: synthesis and evaluation of antimycobacterial properties.	Journal of medicinal chemistry 19840901