[ (4-Nitrophenyl) methyl]urea

CAT: 0926-TAA74035-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-TAA74035-01Size:0.5 g

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CAS Number

18740-35-7

MDL Number

MFCD13195911

Smiles

C1=CC (=CC=C1CNC (=O) N) [N+] (=O) [O-]

Molecular Formula

C8H9N3O3

Molecular Weight

195.18 g/mol

Controlled

Chemical Information

[(4-Nitrophenyl)methyl]urea

CAS Number	18740-35-7
PubChem CID	14906079
IUPAC Name	(4-nitrophenyl)methylurea
Molecular Formula	C8H9N3O3
Molecular Weight	195.18
XLogP	0.6
Topological Polar Surface Area	101
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	218

SMILES

C1=CC(=CC=C1CNC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C8H9N3O3/c9-8(12)10-5-6-1-3-7(4-2-6)11(13)14/h1-4H,5H2,(H3,9,10,12)

InChIKey

JTVLKCKOMVXJQH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18740-35-7

CID: 14906079

Formula: C8H9N3O3

MW: 195.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	195.18
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	195.06439116
Monoisotopic Mass	195.06439116
Topological Polar Surface Area	101 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	218
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
AAA55610	(4-Nitrophenyl) urea
APC60153-01	3-Ethyl-1- (4-methyl-3-nitrophenyl) urea
YNC56405-01	N, N-Dimethyl-N'- (4-methyl-2-nitrophenyl) -urea
YDA59482-01	[ (4-Sulfamoylphenyl) methyl]urea
ZHA46437-01	3- (2-Methoxyethyl) -1- (4-nitrophenyl) urea
BCA59483-01	1- (3'-Pyridylmethyl) -3- (4'-nitrophenyl) urea
AAA62269-01	1,3-Bis[ (4-nitrophenyl) amino]urea
YQB40981	1- (4- ((6,7-dimethoxy (3,4-dihydroisoquinolyl) ) methyl) phenyl) -3- (2-methyl-4-nitrophenyl) urea
ZQB47423	1- (4- ((6,7-dimethoxy (3,4-dihydroisoquinolyl) ) methyl) phenyl) -3- (4-methyl-2-nitrophenyl) urea
ZQB43580	1- (4- ((6,7-dimethoxy (3,4-dihydroisoquinolyl) ) methyl) phenyl) -3- (4-methyl-3-nitrophenyl) urea

Catalog	Name
sc-355731	N-methyl-N'- (4-nitrophenyl) urea
sc-354795A	N- (4-nitrophenyl) urea
OR1074202-01	1- (4-Nitrophenyl) urea
sc-355730	N-methyl-N'- (3-nitrophenyl) urea
459933-01	N, N-Dimethyl-N'- (4-methyl-2-nitrophenyl) -urea
sc-343127	(2-nitrophenyl) urea
sc-355501	N-allyl-N'- (4-nitrophenyl) urea
sc-355631A	N-cyclopropyl-N'- (4-nitrophenyl) urea
TRC-B508500-5G	1,3-Bis(4-nitrophenyl)urea
OR11132	N, N'-Bis (4-nitrophenyl) urea