AG003GOT

5274-71-5 | 2-Bromo-4-nitrobenzaldehyde

AG003GOT

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CAS Number	5274-71-5
Catalog Number	AG003GOT(AGN-PC-0NK0XO)
Chemical Name	2-Bromo-4-nitrobenzaldehyde
IUPAC Name	2-bromo-4-nitrobenzaldehyde
InChI	InChI=1S/C7H4BrNO3/c8-7-3-6(9(11)12)2-1-5(7)4-10/h1-4H
InChI Key	XKDLLBUNDADXAA-UHFFFAOYSA-N
MDL Number	MFCD08753661
Molecular Formula	C7H4BrNO3
Molecular Weight	230.0156
SMILES	[O-][N+](=O)C1=CC(Br)=C(C=O)C=C1
Synonyms	2-Bromo-4-nitrobenzaldehyde, 5274-71-5, Benzaldehyde, 2-bromo-4-nitro-, 2-BROMO-4-NITRO-BENZALDEHYDE, Benzaldehyde,2-bromo-4-nitro-, SCHEMBL6173137, CTK4J6424, DTXSID70508023, XKDLLBUNDADXAA-UHFFFAOYSA-N, ANW-71787, MFCD08753661, STL386639, ZINC15423232, AKOS000295594, CB-1842, CS-W003568, MCULE-4327457639, TRA0048981, KS-00000B24, AC-29416, AJ-67295, AK-72574, CJ-15096, DS-15205, QC-10104, SC-33599, SY025068, AB0031892, ST2416573, TX-016318, 4CH-002062, FT-0737021, X5128, M-9277, MFCD08753661 (97+%), C7H4BrNO3, ACN-027154,

Complexity	192
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.937g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	230.017g/mol
Monoisotopic Mass	228.937g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	62.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number