4-Bromo-N-phenylaniline

CAT: 0127-OR75730-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR75730-01Size:5 g

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CAS Number

54446-36-5

MDL Number

MFCD07779504

Purity

99%

Smiles

BrC1=CC=C(C=C1)NC2=CC=CC=C2

Chemical Information

4-Bromodiphenylamine

See also: 4-Bromo-diphenylamine (annotation moved to).

CAS Number	54446-36-5
PubChem CID	6425786
IUPAC Name	4-bromo-N-phenylaniline
Molecular Formula	C12H10BrN
Molecular Weight	248.12
XLogP	3.9
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	158

SMILES

C1=CC=C(C=C1)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C12H10BrN/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H

InChIKey

CCIVUDMVXNBUCY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 54446-36-5

CID: 6425786

Formula: C12H10BrN

MW: 248.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	248.12
XLogP3	3.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	246.99966
Monoisotopic Mass	246.99966
Topological Polar Surface Area	12 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	158
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
OR1070030-01	4-Bromo-N- (4-nitrophenyl) -N-phenylaniline
OR1098079-01	4-bromo-N-methyl-N-phenylaniline
OR315393-01	4-Bromo-N- (4-bromophenyl) -N-phenylaniline
OR1039940-01	4-Bromo-2-nitro-N-phenylaniline
OR79469-01	2-Bromo-N-phenylaniline
OR50982-01	4-Bromo-2-phenylaniline
OR55248-01	4-Methoxy-N-phenylaniline
OR1037709-01	4-Chloro-N-phenylaniline
OR52337	4-Isopropyl-N-phenylaniline
OR94231-01	5-Bromo-2-nitro-N-phenylaniline

Catalog	Name
LNA19016-01	4-Bromo-N-methyl-N-phenylaniline
FH SU 0044-01	2-bromo-N-phenylaniline
41738-70-9-01	3-bromo-4-phenylaniline
5455-13-0-01	4-bromo-2-phenylaniline
sc-482137	4-Octyl-N-phenylaniline
1205-71-6-01	4-Chloro-N-phenylaniline
DAA36581	N-Methyl-4-phenylaniline
433008	4-Methoxy-N-phenylaniline
330-83-6-01	4-Fluoro-N-phenylaniline
TRC-B810235-50MG	4-tert-Butyl-N-phenylaniline