2,5-Dibromo-3-methylaniline

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CAS Number

1806328-96-0

MDL Number

MFCD28785040

Smiles

C1c (cc (c (c1N) Br) C) Br

Chemical Information

2,5-Dibromo-3-methylaniline

CAS Number	1806328-96-0
PubChem CID	101593146
IUPAC Name	2,5-dibromo-3-methylaniline
Molecular Formula	C7H7Br2N
Molecular Weight	264.94
XLogP	3
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	118

SMILES

CC1=CC(=CC(=C1Br)N)Br

InChI

InChI=1S/C7H7Br2N/c1-4-2-5(8)3-6(10)7(4)9/h2-3H,10H2,1H3

InChIKey

FNCQUELECNOCEQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1806328-96-0

CID: 101593146

Formula: C7H7Br2N

MW: 264.94

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	264.94
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	264.89247
Monoisotopic Mass	262.89452
Topological Polar Surface Area	26 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	118
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-226277	3,5-Dibromo-4-methylaniline
SCA64351-01	2,4-Dibromo-5-methylaniline
sc-322054	2,4-Dibromo-5-fluoro-6-methylaniline
271053-01	2,6-Dibromo-4-methylaniline
RG-D021800-01	2,4-Dibromo-6-Methylaniline
sc-230935	2,4-Dibromo-N-methylaniline
sc-336579A	4,6-Dibromo-3-chloro-2-methylaniline
sc-281664	3-Chloro-2,6-dibromo-4-methylaniline
sc-335571	2,6-Dibromo-3-fluoro-4-methylaniline
sc-335579	2,6-Dibromo-4-fluoro-3-methylaniline