4-Nitroaniline 99% AR

CAT: 1507-01849 00500Size: 500 mgDry Ice: NoHazardous: No

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CAT#:1507-01849 00500Size:500 mg

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CAS Number

100-01-6

Chemical Information

4-Nitroaniline

4-nitroaniline is a nitroaniline carrying a nitro group at position 4. It has a role as a bacterial xenobiotic metabolite.

CAS Number	100-01-6
PubChem CID	7475
IUPAC Name	4-nitroaniline
Molecular Formula	C6H6N2O2
Molecular Weight	138.12
XLogP	1.4
Topological Polar Surface Area	71.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	124

SMILES

C1=CC(=CC=C1N)[N+](=O)[O-]

InChI

InChI=1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2

InChIKey

TYMLOMAKGOJONV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 100-01-6

CID: 7475

Formula: C6H6N2O2

MW: 138.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	138.12
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	138.042927438
Monoisotopic Mass	138.042927438
Topological Polar Surface Area	71.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	124
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
TRC-N491770-5G	4-Nitroaniline
sc-226758	4-Nitroaniline-15N2
OR80784-01	4-Nitroaniline hydrochloride
1141000 25	4-Nitroaniline AR
S-2700	4-Nitroaniline - 1ML
VAA98367-01	N- (4-Chlorophenyl) -4-nitroaniline
OR1042753-01	4- (Dimethylamino) benzylidene-4-nitroaniline
FF64345-01	2-Fluoro-4-nitroaniline
FC00475	4-Chloro-2-nitroaniline
FB10713-01	4-Bromo-2-nitroaniline