FADB-China

FADB-China ID	C0455
Substance Name	Nifedipine
Substance Chinese Name	硝苯地平
Molecular Name	O-nitrobenzaldehyde
Molecular Chinese Name	邻硝基苯甲醛
2D Structure
CAS Number	552-89-6
PubChem CID	11101
Formula	C7H5NO3
IUPAC Name	2-nitrobenzaldehyde
InChI Key	CMWKITSNTDAEDT-UHFFFAOYSA-N
InChI	InChI=1S/C7H5NO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H
Canonical SMILES	C1=CC=C(C(=C1)C=O)[N+](=O)[O-]
Isomeric SMILES	C1=CC=C(C(=C1)C=O)[N+](=O)[O-]
CFM-ID 3.0	URL Link
Related links	Processing
Addition Purposes	Enhance health care function
Molecular Synonyms	2-NITROBENZALDEHYDE 552-89-6 O-Nitrobenzaldehyde Benzaldehyde, 2-nitro- Benzaldehyde, o-nitro- Nitrobenzaldehyde 2-Nitro-benzaldehyde Nitro benzaldehyde 2-FORMYLNITROBENZENE MFCD00007132
Data Uploader	MinQing Cai
Update Date	Jul 25, 2019 20:46

Property Name	Property Value
Molecular Weight	151.12
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Complexity	164
Monoisotopic Mass	151.026943024
Exact Mass	151.026943024
XLogP	1.7
Formal Charge	0
Heavy Atom Count	11
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	1

Related Foods

ID	Structure	Name	Source	PubChem Link
		O-Nitrotoluene	HPV EPA Chemicals, IARC Carcinogens Group 2A, OECD HPV Chemicals, ToxCast & Tox21 Chemicals	Link

Title	DOI/PubMed/ISSN
食品补充检验方法征集目录