1- (3-Nitrophenyl) urea

CAT: 0127-OR1052539-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1052539-01Size:250 mg

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CAS Number

13142-61-5

MDL Number

MFCD00025422

Purity

95%

Smiles

O=C(N)NC1=CC=CC([N+]([O-])=O)=C1

Chemical Information

(3-Nitrophenyl)urea

CAS Number	13142-61-5
PubChem CID	3400496
IUPAC Name	(3-nitrophenyl)urea
Molecular Formula	C7H7N3O3
Molecular Weight	181.15
XLogP	0.9
Topological Polar Surface Area	101
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	214

SMILES

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

InChI

InChI=1S/C7H7N3O3/c8-7(11)9-5-2-1-3-6(4-5)10(12)13/h1-4H,(H3,8,9,11)

InChIKey

UUIRARUHMZIJCV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13142-61-5

CID: 3400496

Formula: C7H7N3O3

MW: 181.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	181.15
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	181.04874109
Monoisotopic Mass	181.04874109
Topological Polar Surface Area	101 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	214
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
OR1074202-01	1- (4-Nitrophenyl) urea
OR310557	3-Amino-1- (4-nitrophenyl) urea
OR1059257-01	1- (2-Hydroxy-4-nitrophenyl) -3- (2-methoxyphenyl) urea
OR1078923-01	1,1'- (Hexane-1,6-diyl) bis[3- (2-nitrophenyl) urea]
OR25865	N- (4-chloro-3-nitrophenyl) -N'- (3-chlorophenyl) urea
OR11132	N, N'-Bis (4-nitrophenyl) urea
OR25864	N- (4-chloro-3-nitrophenyl) -N'- (2-chlorophenyl) urea
OR111053-01	N- (4-Chloro-3-nitrophenyl) -N'- (4-chlorophenyl) urea
OR23628	N- (4-nitrophenyl) -N'- (1,2,2-trichlorovinyl) urea
OR1078870-01	1,1'-[Methylenebis (2,6-diethyl-4,1-phenylene) ]bis[3- (2-nitrophenyl) urea]

Catalog	Name
sc-354609	N- (3-nitrophenyl) urea
AAA55610	(4-Nitrophenyl) urea
sc-343127	(2-nitrophenyl) urea
PCA39300-01	3-Cyclopropyl-1- (3-nitrophenyl) urea
sc-346886	3-ethyl-1- (3-nitrophenyl) urea
TRC-B508500-5G	1,3-Bis(4-nitrophenyl)urea
sc-355630	N-cyclopropyl-N'- (3-nitrophenyl) urea
sc-355730	N-methyl-N'- (3-nitrophenyl) urea
sc-208763	1,3-Bis (4-nitrophenyl) urea
sc-347294	3,3-dimethyl-1- (2-nitrophenyl) urea