2-Bromo-N-phenylaniline

CAT: 0926-LCA61322-01Size: 0.25 gDry Ice: NoHazardous: No

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CAT#:0926-LCA61322-01Size:0.25 g

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CAS Number

61613-22-7

MDL Number

MFCD01851817

Smiles

C1=CC=C (C=C1) NC2=CC=CC=C2Br

Molecular Formula

C12H10BrN

Molecular Weight

248.12 g/mol

Controlled

Chemical Information

2-Bromo-N-phenylaniline

CAS Number	61613-22-7
PubChem CID	6425787
IUPAC Name	2-bromo-N-phenylaniline
Molecular Formula	C12H10BrN
Molecular Weight	248.12
XLogP	4.2
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	166

SMILES

C1=CC=C(C=C1)NC2=CC=CC=C2Br

InChI

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

InChIKey

WAAWAHYRHUWAFM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 61613-22-7

CID: 6425787

Formula: C12H10BrN

MW: 248.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	248.12
XLogP3	4.2
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	166
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
LNA19016-01	4-Bromo-N-methyl-N-phenylaniline
IYB52174	N-Methyl-2-phenylaniline hydrochloride
IHB11408-01	2-Methoxy-4-methyl-N-phenylaniline
DAA36581	N-Methyl-4-phenylaniline
EAA53179-01	3-Nitro-N-phenylaniline
FO182346	4-Octyl-N-phenylaniline
UQB57569-01	4- (Aminomethyl) -N-ethyl-N-phenylaniline
ECA14794-01	5-Methyl-2-phenylaniline
DUA40355-01	2-Fluoro-5-phenylaniline
YCA00678	4-Chloro-2-phenylaniline

Catalog	Name
OR79469-01	2-Bromo-N-phenylaniline
OR75730-01	4-Bromo-N-phenylaniline
OR1039940-01	4-Bromo-2-nitro-N-phenylaniline
OR94231-01	5-Bromo-2-nitro-N-phenylaniline
OR50982-01	4-Bromo-2-phenylaniline
OR1098079-01	4-bromo-N-methyl-N-phenylaniline
OR1070030-01	4-Bromo-N- (4-nitrophenyl) -N-phenylaniline
OR315393-01	4-Bromo-N- (4-bromophenyl) -N-phenylaniline
OR54435-01	2-Methyl-N-phenylaniline
FH SU 0022-01	2- (benzenesulfonyl) -N-phenylaniline